Clozapine

CAS Number: 5786-21-0

Molecular Mass: 326.8 g/mol

Formula: C₁₈H₁₉ClN₄

Smiles: CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1

Synonymes:

Clozapine, clozapine, 5786-21-0, Leponex, Clozapin, CLOZARIL, Fazaclo, Clorazil, Clozapina, Clozapinum, HF-1854, Fazaclo ODT, HF 1854, 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine, Versacloz, Clozapine (Clozaril), 8-chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine, DTXSID5022855, J60AR2IKIC, Clozapine (udl), Clozapine (ivax), Clozapine (teva), Clozapine (mylan), 5H-Dibenzo[b,e][1,4]diazepine, 8-chloro-11-(4-methyl-1-piperazinyl)-, Clozapine (caraco), Clozapine (fazaclo), NSC-757429, Clozapine (versacloz), 5H-Dibenzo(b,e)(1,4)diazepine, 8-chloro-11-(4-methyl-1-piperazinyl)-, 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine, CHEBI:3766, DTXCID302855, Zaponex, 8-chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo(b,e)(1,4)diazepine, 6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatricyclo(9.4.0.03,8)pentadeca-1(11),3,5,7,9,12,14-heptaene, 6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaene, RefChem:5701, N05AH02, 227-313-7, 6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatricyclo(9.4.0.03,8)pentadeca-1(15),3,5,7,9,11,13-heptaene, Clonex, Iprox, Lepotex, MFCD00153785, W-801, 3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine, CHEMBL42, MLS000028472, Asaleptin, 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]-diazepine, NCGC00015254-12, SMR000058365, CAS-5786-21-0, CLZ-ChemoNM, 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine, Clozapinum [INN-Latin], Clozapina [INN-Spanish], Azaleptine, Clozaril (TN), 1333667-72-3, CCRIS 9171, HSDB 6478, SR-01000000096, EINECS 227-313-7, UNII-J60AR2IKIC, 3-chloro-6-(4-methylpiperazin-1-yl)-5H-benzo[b][1,4]benzodiazepine, BRN 0764984, Clozapine (JAN/USP/INN), Azaleptin, , Alemoxan, , Clozaril, , Lapenax, , Leponex, , LX 100-129, Clozapine CRS, Clozapine, solid, Iprox, , LEX-123, Clozapine [USAN:USP:INN:BAN], Prestwick_693, Clozapine (Standard), KS-1166, Spectrum_000139, Tocris-0444, CPD000058365, CLOZAPINE [INN], CLOZAPINE [JAN], Opera_ID_482, CLOZAPINE [MI], CLOZAPINE [HSDB], CLOZAPINE [USAN], Prestwick0_000350, Prestwick1_000350, Spectrum2_000919, Spectrum3_001828, Spectrum4_000898, CLOZAPINE [VANDF], Lopac-C-6305, CLOZAPINE [MART.], GTPL38, C 6305, CLOZAPINE [USP-RS], CLOZAPINE [WHO-DD], SCHEMBL8397, REGID_for_CID_2818, SCHEMBL33323, KBioGR_000310, KBioGR_001336, KBioSS_000310, KBioSS_000599, MLS001077282, DivK1c_000343, SPECTRUM1500685, Clozapine - Bio-X trade mark, SPBio_000798, SPBio_002340, Clozapine, 1mg/ml in Methanol, CHEMBL253391, orb1310596, orb3141245, CLOZAPINE [ORANGE BOOK], PS04 - Clozapine/Norclozapine, CLOZAPINE [EP MONOGRAPH], SCHEMBL29360001, SCHEMBL29433929, SCHEMBL29590817, BDBM22869, CHEBI:92657, Clozapine for peak identification, HMS501B05, KBio1_000343, KBio2_000310, KBio2_000599, KBio2_002878, KBio2_003167, KBio2_005446, KBio2_005735, KBio3_000619, KBio3_000620, KBio3_002979, CLOZAPINE (UDL) [VANDF], CLOZAPINE [USP MONOGRAPH], CLOZAPINE (IVAX) [VANDF], CLOZAPINE (TEVA) [VANDF], NINDS_000343, Bio1_000436, Bio1_000925, Bio1_001414, Bio2_000310, Bio2_000790, DTXSID401020663, GLXC-06516, HMS1361P12, HMS1569E21, HMS1791P12, HMS1921C16, HMS1989P12, HMS2089L13, HMS2092I16, HMS2096E21, HMS2235E19, HMS3259J17, HMS3260H14, HMS3266A10, HMS3371H05, HMS3402P12, HMS3414F09, HMS3657E15, HMS3678F09, HMS3713E21, HMS3742K03, HMS5081G07, Pharmakon1600-01500685, CLOZAPINE (MYLAN) [VANDF], CLOZAPINE (CARACO) [VANDF], KXB05350, CLOZAPINE (FAZACLO) [VANDF], Tox21_110113, Tox21_500276, BDBM50001884, CCG-39881, EBC-00671, HB1607, HY-14539R, MSK000866, NSC757429, s2459, CLOZAPINE (CLOZARIL) [VANDF], Clozapine 1.0 mg/ml in Acetonitrile, Clozapine for peak identification CRS, 8-Chloro-11-(4-methyl)-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine, 8-chloro-11-(4-methylpiperazin-1-yl)-10H-dibenzo[b,e][1,4]diazepine, AKOS005064444, AKOS026749900, CLOZAPINE (VERSACLOZ) [VANDF], Tox21_110113_1, CS-0644, DB00363, FC20526, LP00276, NC00667, NSC 757429, SDCCGSBI-0050264.P005, NCGC00015254-01, NCGC00015254-02, NCGC00015254-03, NCGC00015254-04, NCGC00015254-05, NCGC00015254-06, NCGC00015254-07, NCGC00015254-08, NCGC00015254-09, NCGC00015254-10, NCGC00015254-11, NCGC00015254-13, NCGC00015254-14, NCGC00015254-15, NCGC00015254-16, NCGC00015254-17, NCGC00015254-18, NCGC00015254-20, NCGC00015254-31, NCGC00022902-02, NCGC00022902-04, NCGC00022902-05, NCGC00022902-06, NCGC00022902-07, NCGC00022902-08, NCGC00022902-09, NCGC00022902-10, NCGC00022902-11, NCGC00022902-12, NCGC00022902-13, NCGC00188978-01, NCGC00260961-01, BC164328, HY-14539, SY052613, SBI-0050264.P004, DB-053121, C2547, D-107, EU-0100276, NS00000413, SW220247-1, EN300-52510, C06924, D00283, H10436, M01464, AB00052158-13, AB00052158-14, AB00052158_15, AB00052158_16, Clozapine, drug standard, 1.0 mg/mL in methanol, L000195, L013417, Q221361, SR-01000000096-2, SR-01000000096-4, SR-01000000096-5, SR-01000000096-8, BRD-K37289225-001-09-1, BRD-K37289225-001-23-2, BRD-K37289225-001-34-9, BRD-K37289225-001-35-6, BRD-K37289225-001-36-4, BRD-K37289225-001-37-2, Clozapine, British Pharmacopoeia (BP) Reference Standard, Z754926488, Clozapine, European Pharmacopoeia (EP) Reference Standard, Clozapine, United States Pharmacopeia (USP) Reference Standard, 8-Chloro-11-(4-methylpiperazino)-5H-dibenzo[b,e][1,4]diazepine, 3-chloro-6-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine, 8-Chloro-11-(4-methyl-1-piperazinyl)-10H-dibenzo[b,e][1,4]diazepine, 8-chloro-11-(4-methyl-piperazin-1-yl)-10H-dibenzo[b,e][1,4]diazepine, 3-Hydroxy-2-phenyl-propionic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester, 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine (Clozapine), 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine( Clozepine ), 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine(Ciozapine), 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine(Clopazine), Clozapine for peak identification, European Pharmacopoeia (EP) Reference Standard, CLOZAPINE, 8-CHLORO-11-(4-METHYL-PIPERAZIN-1-YL)-5H-DIBENZO[B,E][1,4]DIAZEPINE, 6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatricyclo[9.4.0.0,3,8]pentadeca-1,3(8),4,6,10,12,14-heptaene, 6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1,3(8),4,6,10,12,14-heptaene

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1,2-Dichloroethane	283.15	-	49.37	[141]
1,2-Dichloroethane	288.15	-	66.5	[141]
1,2-Dichloroethane	293.15	-	76.94	[141]
1,2-Dichloroethane	298.15	-	90.4	[141]
1,2-Dichloroethane	303.15	-	102.0	[141]
1,2-Dichloroethane	308.15	-	119.5	[141]
1,2-Dichloroethane	313.15	-	130.7	[141]
1,2-Dichloroethane	318.15	-	161.4	[141]
1,2-Dichloroethane	323.15	-	194.4	[141]
1,2-Dichloroethane	328.15	-	241.0	[141]
1,2-Dichloroethane	333.15	-	273.0	[141]
1-Butanol	278.15	-	23.48	[139]
1-Butanol	278.15	-	29.05	[140]
1-Butanol	283.15	-	27.64	[139]
1-Butanol	283.15	-	32.39	[140]
1-Butanol	288.15	-	30.86	[139]
1-Butanol	288.15	-	36.34	[140]
1-Butanol	293.15	-	35.05	[139]
1-Butanol	293.15	-	40.65	[140]
1-Butanol	298.15	-	40.35	[139]
1-Butanol	298.15	-	45.52	[140]
1-Butanol	303.15	-	46.14	[139]
1-Butanol	303.15	-	50.43	[140]
1-Butanol	308.15	-	51.82	[139]
1-Butanol	308.15	-	55.19	[140]
1-Butanol	313.15	-	58.51	[139]
1-Butanol	313.15	-	61.19	[140]
1-Butanol	318.15	-	68.05	[139]
1-Butanol	318.15	-	67.22	[140]
1-Butanol	323.15	-	76.87	[139]
1-Butanol	323.15	-	73.76	[140]
1-Pentanol	278.15	-	22.72	[139]
1-Pentanol	278.15	-	27.96	[140]
1-Pentanol	283.15	-	27.81	[139]
1-Pentanol	283.15	-	31.43	[140]
1-Pentanol	288.15	-	32.72	[139]
1-Pentanol	288.15	-	35.23	[140]
1-Pentanol	293.15	-	36.96	[139]
1-Pentanol	293.15	-	39.28	[140]
1-Pentanol	298.15	-	41.24	[139]
1-Pentanol	298.15	-	43.59	[140]
1-Pentanol	303.15	-	46.22	[139]
1-Pentanol	303.15	-	48.29	[140]
1-Pentanol	308.15	-	53.56	[139]
1-Pentanol	308.15	-	52.63	[140]
1-Pentanol	313.15	-	61.33	[139]
1-Pentanol	313.15	-	58.33	[140]
1-Pentanol	318.15	-	70.64	[139]
1-Pentanol	318.15	-	64.19	[140]
1-Pentanol	323.15	-	79.74	[139]
1-Pentanol	323.15	-	69.45	[140]
1-Propanol	278.15	-	25.77	[139]
1-Propanol	278.15	-	31.65	[140]
1-Propanol	283.15	-	28.64	[139]
1-Propanol	283.15	-	36.24	[140]
1-Propanol	283.15	-	27.43	[141]
1-Propanol	288.15	-	32.47	[139]
1-Propanol	288.15	-	40.93	[140]
1-Propanol	288.15	-	27.33	[141]
1-Propanol	293.15	-	36.59	[139]
1-Propanol	293.15	-	46.5	[140]
1-Propanol	293.15	-	29.41	[141]
1-Propanol	298.15	-	40.73	[139]
1-Propanol	298.15	-	52.05	[140]
1-Propanol	298.15	-	33.01	[141]
1-Propanol	303.15	-	47.46	[139]
1-Propanol	303.15	-	58.59	[140]
1-Propanol	303.15	-	34.64	[141]
1-Propanol	308.15	-	53.38	[139]
1-Propanol	308.15	-	64.75	[140]
1-Propanol	308.15	-	37.45	[141]
1-Propanol	313.15	-	64.24	[139]
1-Propanol	313.15	-	71.44	[140]
1-Propanol	313.15	-	47.1	[141]
1-Propanol	318.15	-	72.65	[139]
1-Propanol	318.15	-	79.58	[140]
1-Propanol	318.15	-	54.62	[141]
1-Propanol	323.15	-	82.01	[139]
1-Propanol	323.15	-	88.32	[140]
1-Propanol	323.15	-	60.98	[141]
1-Propanol	328.15	-	73.15	[141]
1-Propanol	333.15	-	84.91	[141]
2-Butanol	278.15	-	16.68	[140]
2-Butanol	283.15	-	18.4	[140]
2-Butanol	288.15	-	20.33	[140]
2-Butanol	293.15	-	22.07	[140]
2-Butanol	298.15	-	24.21	[140]
2-Butanol	303.15	-	26.38	[140]
2-Butanol	308.15	-	28.64	[140]
2-Butanol	313.15	-	31.36	[140]
2-Butanol	318.15	-	34.09	[140]
2-Butanol	323.15	-	37.07	[140]
2-Methoxyethanol	278.15	-	141.6	[139]
2-Methoxyethanol	283.15	-	151.5	[139]
2-Methoxyethanol	288.15	-	158.1	[139]
2-Methoxyethanol	293.15	-	169.7	[139]
2-Methoxyethanol	298.15	-	181.6	[139]
2-Methoxyethanol	303.15	-	193.8	[139]
2-Methoxyethanol	308.15	-	206.0	[139]
2-Methoxyethanol	313.15	-	217.4	[139]
2-Methoxyethanol	318.15	-	234.1	[139]
2-Methoxyethanol	323.15	-	254.9	[139]
Acetone	278.15	-	53.18	[140]
Acetone	283.15	-	60.69	[140]
Acetone	283.15	-	35.98	[141]
Acetone	288.15	-	68.75	[140]
Acetone	288.15	-	41.35	[141]
Acetone	293.15	-	77.85	[140]
Acetone	293.15	-	54.77	[141]
Acetone	298.15	-	88.93	[140]
Acetone	298.15	-	62.43	[141]
Acetone	303.15	-	100.1	[140]
Acetone	303.15	-	72.95	[141]
Acetone	308.15	-	112.0	[140]
Acetone	308.15	-	79.68	[141]
Acetone	313.15	-	125.9	[140]
Acetone	313.15	-	88.4	[141]
Acetone	318.15	-	143.0	[140]
Acetone	318.15	-	103.4	[141]
Acetone	323.15	-	160.3	[140]
Acetone	323.15	-	121.7	[141]
Acetonitrile	278.15	-	13.56	[140]
Acetonitrile	283.15	-	14.82	[140]
Acetonitrile	288.15	-	16.33	[140]
Acetonitrile	293.15	-	17.8	[140]
Acetonitrile	298.15	-	19.63	[140]
Acetonitrile	303.15	-	21.17	[140]
Acetonitrile	308.15	-	23.23	[140]
Acetonitrile	313.15	-	25.11	[140]
Acetonitrile	318.15	-	27.29	[140]
Acetonitrile	323.15	-	29.41	[140]
Amyl Acetate	278.15	-	29.82	[139]
Amyl Acetate	283.15	-	32.29	[139]
Amyl Acetate	288.15	-	36.62	[139]
Amyl Acetate	293.15	-	39.53	[139]
Amyl Acetate	298.15	-	44.31	[139]
Amyl Acetate	303.15	-	49.25	[139]
Amyl Acetate	308.15	-	53.08	[139]
Amyl Acetate	313.15	-	59.41	[139]
Amyl Acetate	318.15	-	65.51	[139]
Amyl Acetate	323.15	-	73.24	[139]
Benzene	283.15	-	21.84	[141]
Benzene	288.15	-	23.05	[141]
Benzene	293.15	-	25.03	[141]
Benzene	298.15	-	28.39	[141]
Benzene	303.15	-	35.49	[141]
Benzene	308.15	-	43.41	[141]
Benzene	313.15	-	55.35	[141]
Benzene	318.15	-	65.63	[141]
Benzene	323.15	-	75.16	[141]
Benzene	328.15	-	93.58	[141]
Benzene	333.15	-	109.4	[141]
Butyl acetate	278.15	-	30.78	[139]
Butyl acetate	283.15	-	34.62	[139]
Butyl acetate	288.15	-	37.16	[139]
Butyl acetate	293.15	-	41.23	[139]
Butyl acetate	298.15	-	45.56	[139]
Butyl acetate	303.15	-	50.12	[139]
Butyl acetate	308.15	-	56.93	[139]
Butyl acetate	313.15	-	63.49	[139]
Butyl acetate	318.15	-	68.48	[139]
Butyl acetate	323.15	-	77.76	[139]
Chloroform	278.15	-	276.6	[140]
Chloroform	283.15	-	287.9	[140]
Chloroform	288.15	-	299.8	[140]
Chloroform	293.15	-	312.1	[140]
Chloroform	298.15	-	324.1	[140]
Chloroform	303.15	-	336.2	[140]
Chloroform	308.15	-	348.0	[140]
Chloroform	313.15	-	362.5	[140]
Chloroform	318.15	-	375.9	[140]
Chloroform	323.15	-	389.6	[140]
Dimethyl sulfoxide	293.15	-	291.7	[141]
Dimethyl sulfoxide	298.15	-	313.2	[141]
Dimethyl sulfoxide	303.15	-	348.2	[141]
Dimethyl sulfoxide	308.15	-	414.2	[141]
Dimethyl sulfoxide	313.15	-	473.8	[141]
Dimethyl sulfoxide	318.15	-	549.7	[141]
Dimethyl sulfoxide	323.15	-	605.9	[141]
Dimethyl sulfoxide	328.15	-	721.2	[141]
Dimethyl sulfoxide	333.15	-	839.2	[141]
Dimethylformamide	278.15	-	453.5	[140]
Dimethylformamide	283.15	-	477.7	[140]
Dimethylformamide	283.15	-	363.3	[141]
Dimethylformamide	288.15	-	505.0	[140]
Dimethylformamide	288.15	-	392.8	[141]
Dimethylformamide	293.15	-	532.3	[140]
Dimethylformamide	293.15	-	416.1	[141]
Dimethylformamide	298.15	-	560.6	[140]
Dimethylformamide	298.15	-	436.0	[141]
Dimethylformamide	303.15	-	589.9	[140]
Dimethylformamide	303.15	-	472.7	[141]
Dimethylformamide	308.15	-	619.2	[140]
Dimethylformamide	308.15	-	522.1	[141]
Dimethylformamide	313.15	-	649.6	[140]
Dimethylformamide	313.15	-	578.5	[141]
Dimethylformamide	318.15	-	679.7	[140]
Dimethylformamide	318.15	-	634.1	[141]
Dimethylformamide	323.15	-	713.2	[140]
Dimethylformamide	323.15	-	696.8	[141]
Dimethylformamide	328.15	-	751.5	[141]
Dimethylformamide	333.15	-	835.9	[141]
Ethanol	278.15	-	26.68	[139]
Ethanol	278.15	-	30.5	[140]
Ethanol	283.15	-	30.43	[139]
Ethanol	283.15	-	33.56	[140]
Ethanol	283.15	-	32.4	[141]
Ethanol	288.15	-	32.87	[139]
Ethanol	288.15	-	37.38	[140]
Ethanol	288.15	-	32.88	[141]
Ethanol	293.15	-	36.1	[139]
Ethanol	293.15	-	41.47	[140]
Ethanol	293.15	-	36.28	[141]
Ethanol	298.15	-	40.42	[139]
Ethanol	298.15	-	45.58	[140]
Ethanol	298.15	-	39.38	[141]
Ethanol	303.15	-	45.26	[139]
Ethanol	303.15	-	49.75	[140]
Ethanol	303.15	-	42.81	[141]
Ethanol	308.15	-	50.98	[139]
Ethanol	308.15	-	54.94	[140]
Ethanol	308.15	-	46.5	[141]
Ethanol	313.15	-	57.96	[139]
Ethanol	313.15	-	59.8	[140]
Ethanol	313.15	-	49.16	[141]
Ethanol	318.15	-	66.03	[139]
Ethanol	318.15	-	65.75	[140]
Ethanol	318.15	-	56.84	[141]
Ethanol	323.15	-	73.25	[139]
Ethanol	323.15	-	71.64	[140]
Ethanol	323.15	-	61.54	[141]
Ethanol	328.15	-	69.94	[141]
Ethanol	333.15	-	86.13	[141]
Ethyl acetate	278.15	-	30.77	[139]
Ethyl acetate	278.15	-	37.44	[140]
Ethyl acetate	283.15	-	34.27	[139]
Ethyl acetate	283.15	-	41.44	[140]
Ethyl acetate	288.15	-	38.88	[139]
Ethyl acetate	288.15	-	45.94	[140]
Ethyl acetate	293.15	-	43.27	[139]
Ethyl acetate	293.15	-	51.45	[140]
Ethyl acetate	298.15	-	49.09	[139]
Ethyl acetate	298.15	-	56.96	[140]
Ethyl acetate	303.15	-	53.75	[139]
Ethyl acetate	303.15	-	64.09	[140]
Ethyl acetate	308.15	-	60.45	[139]
Ethyl acetate	308.15	-	69.95	[140]
Ethyl acetate	313.15	-	67.25	[139]
Ethyl acetate	313.15	-	77.06	[140]
Ethyl acetate	318.15	-	76.94	[139]
Ethyl acetate	318.15	-	84.88	[140]
Ethyl acetate	323.15	-	87.03	[139]
Ethyl acetate	323.15	-	93.19	[140]
Ethyl formate	278.15	-	137.2	[140]
Ethyl formate	283.15	-	146.4	[140]
Ethyl formate	288.15	-	156.0	[140]
Ethyl formate	293.15	-	166.1	[140]
Ethyl formate	298.15	-	176.7	[140]
Ethyl formate	303.15	-	185.8	[140]
Ethyl formate	308.15	-	196.0	[140]
Ethyl formate	313.15	-	207.0	[140]
Ethyl formate	318.15	-	218.3	[140]
Ethyl formate	323.15	-	233.0	[140]
Glycol monoethyl ether	278.15	-	127.2	[139]
Glycol monoethyl ether	283.15	-	138.6	[139]
Glycol monoethyl ether	288.15	-	146.8	[139]
Glycol monoethyl ether	293.15	-	156.0	[139]
Glycol monoethyl ether	298.15	-	167.7	[139]
Glycol monoethyl ether	303.15	-	175.5	[139]
Glycol monoethyl ether	308.15	-	186.1	[139]
Glycol monoethyl ether	313.15	-	198.3	[139]
Glycol monoethyl ether	318.15	-	214.4	[139]
Glycol monoethyl ether	323.15	-	233.3	[139]
Glycol monopropyl ether	278.15	-	127.1	[139]
Glycol monopropyl ether	283.15	-	133.9	[139]
Glycol monopropyl ether	288.15	-	139.5	[139]
Glycol monopropyl ether	293.15	-	150.2	[139]
Glycol monopropyl ether	298.15	-	156.4	[139]
Glycol monopropyl ether	303.15	-	164.3	[139]
Glycol monopropyl ether	308.15	-	174.0	[139]
Glycol monopropyl ether	313.15	-	182.7	[139]
Glycol monopropyl ether	318.15	-	189.8	[139]
Glycol monopropyl ether	323.15	-	202.4	[139]
Isoamyl Alcohol	278.15	-	25.44	[140]
Isoamyl Alcohol	283.15	-	28.47	[140]
Isoamyl Alcohol	288.15	-	31.43	[140]
Isoamyl Alcohol	293.15	-	35.24	[140]
Isoamyl Alcohol	298.15	-	38.59	[140]
Isoamyl Alcohol	303.15	-	42.65	[140]
Isoamyl Alcohol	308.15	-	46.8	[140]
Isoamyl Alcohol	313.15	-	51.68	[140]
Isoamyl Alcohol	318.15	-	56.63	[140]
Isoamyl Alcohol	323.15	-	63.12	[140]
Isobutanol	278.15	-	24.04	[140]
Isobutanol	283.15	-	26.29	[140]
Isobutanol	288.15	-	28.99	[140]
Isobutanol	293.15	-	31.67	[140]
Isobutanol	298.15	-	35.06	[140]
Isobutanol	303.15	-	38.2	[140]
Isobutanol	308.15	-	41.86	[140]
Isobutanol	313.15	-	45.8	[140]
Isobutanol	318.15	-	49.75	[140]
Isobutanol	323.15	-	54.05	[140]
Isopropanol	278.15	-	12.09	[140]
Isopropanol	283.15	-	13.94	[140]
Isopropanol	283.15	-	11.77	[141]
Isopropanol	288.15	-	15.81	[140]
Isopropanol	288.15	-	11.96	[141]
Isopropanol	293.15	-	18.0	[140]
Isopropanol	293.15	-	12.69	[141]
Isopropanol	298.15	-	20.79	[140]
Isopropanol	298.15	-	13.95	[141]
Isopropanol	303.15	-	23.12	[140]
Isopropanol	303.15	-	15.87	[141]
Isopropanol	308.15	-	26.02	[140]
Isopropanol	308.15	-	18.56	[141]
Isopropanol	313.15	-	29.14	[140]
Isopropanol	313.15	-	21.13	[141]
Isopropanol	318.15	-	32.69	[140]
Isopropanol	318.15	-	24.71	[141]
Isopropanol	323.15	-	37.26	[140]
Isopropanol	323.15	-	26.72	[141]
Isopropanol	328.15	-	35.02	[141]
Isopropanol	333.15	-	42.44	[141]
Methanol	278.15	-	52.28	[140]
Methanol	283.15	-	57.7	[140]
Methanol	283.15	-	52.38	[141]
Methanol	288.15	-	62.63	[140]
Methanol	288.15	-	52.91	[141]
Methanol	293.15	-	68.28	[140]
Methanol	293.15	-	57.9	[141]
Methanol	298.15	-	74.57	[140]
Methanol	298.15	-	63.46	[141]
Methanol	303.15	-	80.48	[140]
Methanol	303.15	-	70.79	[141]
Methanol	308.15	-	87.08	[140]
Methanol	308.15	-	78.01	[141]
Methanol	313.15	-	95.33	[140]
Methanol	313.15	-	81.8	[141]
Methanol	318.15	-	102.8	[140]
Methanol	318.15	-	85.85	[141]
Methanol	323.15	-	110.3	[140]
Methanol	323.15	-	92.63	[141]
Methanol	328.15	-	111.8	[141]
Methyl acetate	278.15	-	26.07	[139]
Methyl acetate	278.15	-	52.83	[140]
Methyl acetate	283.15	-	29.76	[139]
Methyl acetate	283.15	-	59.87	[140]
Methyl acetate	288.15	-	33.31	[139]
Methyl acetate	288.15	-	66.37	[140]
Methyl acetate	293.15	-	39.06	[139]
Methyl acetate	293.15	-	72.67	[140]
Methyl acetate	298.15	-	44.8	[139]
Methyl acetate	298.15	-	79.2	[140]
Methyl acetate	303.15	-	51.14	[139]
Methyl acetate	303.15	-	87.2	[140]
Methyl acetate	308.15	-	58.19	[139]
Methyl acetate	308.15	-	94.71	[140]
Methyl acetate	313.15	-	66.6	[139]
Methyl acetate	313.15	-	103.1	[140]
Methyl acetate	318.15	-	76.08	[139]
Methyl acetate	318.15	-	113.3	[140]
Methyl acetate	323.15	-	88.8	[139]
Methyl acetate	323.15	-	123.2	[140]
Methyl ethyl ketone	278.15	-	82.19	[140]
Methyl ethyl ketone	283.15	-	91.81	[140]
Methyl ethyl ketone	288.15	-	103.4	[140]
Methyl ethyl ketone	293.15	-	114.0	[140]
Methyl ethyl ketone	298.15	-	127.1	[140]
Methyl ethyl ketone	303.15	-	139.9	[140]
Methyl ethyl ketone	308.15	-	155.4	[140]
Methyl ethyl ketone	313.15	-	170.7	[140]
Methyl ethyl ketone	318.15	-	187.8	[140]
Methyl ethyl ketone	323.15	-	207.3	[140]
N-Methyl-2-pyrrolidone	283.15	-	108.1	[141]
N-Methyl-2-pyrrolidone	288.15	-	144.5	[141]
N-Methyl-2-pyrrolidone	293.15	-	169.6	[141]
N-Methyl-2-pyrrolidone	298.15	-	188.0	[141]
N-Methyl-2-pyrrolidone	303.15	-	218.0	[141]
N-Methyl-2-pyrrolidone	308.15	-	247.7	[141]
N-Methyl-2-pyrrolidone	313.15	-	271.4	[141]
N-Methyl-2-pyrrolidone	318.15	-	300.4	[141]
N-Methyl-2-pyrrolidone	323.15	-	363.4	[141]
N-Methyl-2-pyrrolidone	328.15	-	420.7	[141]
N-Methyl-2-pyrrolidone	333.15	-	441.9	[141]
Propyl acetate	278.15	-	33.52	[139]
Propyl acetate	283.15	-	37.38	[139]
Propyl acetate	288.15	-	40.7	[139]
Propyl acetate	293.15	-	45.28	[139]
Propyl acetate	298.15	-	49.99	[139]
Propyl acetate	303.15	-	55.55	[139]
Propyl acetate	308.15	-	62.47	[139]
Propyl acetate	313.15	-	69.75	[139]
Propyl acetate	318.15	-	76.32	[139]
Propyl acetate	323.15	-	86.05	[139]
Tetrahydrofuran	278.15	-	272.5	[140]
Tetrahydrofuran	283.15	-	291.8	[140]
Tetrahydrofuran	288.15	-	312.2	[140]
Tetrahydrofuran	293.15	-	332.9	[140]
Tetrahydrofuran	298.15	-	354.9	[140]
Tetrahydrofuran	303.15	-	376.7	[140]
Tetrahydrofuran	308.15	-	399.6	[140]
Tetrahydrofuran	313.15	-	425.0	[140]
Tetrahydrofuran	318.15	-	448.9	[140]
Tetrahydrofuran	323.15	-	474.1	[140]
Toluene	283.15	-	10.99	[141]
Toluene	288.15	-	14.44	[141]
Toluene	293.15	-	16.98	[141]
Toluene	298.15	-	20.03	[141]
Toluene	303.15	-	22.99	[141]
Toluene	308.15	-	26.18	[141]
Toluene	313.15	-	31.83	[141]
Toluene	318.15	-	35.78	[141]
Toluene	323.15	-	42.12	[141]
Toluene	328.15	-	49.41	[141]
Toluene	333.15	-	60.59	[141]

Molecule 3D descriptors

Descriptor	Value
PMI1	1599.1707
PMI2	3281.9998
PMI3	4498.8562
NPR1	0.3555
NPR2	0.7295
RadiusOfGyration	3.7881
InertialShapeFactor	0.0005
Eccentricity	0.9347
Asphericity	0.2892
SpherocityIndex	0.2092
PBF	0.8834