Melatonin

CAS Number: 73-31-4

Molecular Mass: 232.28 g/mol

Formula: C₁₃H₁₆N₂O₂

Smiles: COc1ccc2[nH]cc(CCNC(C)=O)c2c1

Synonymes:

Melatonin, 73-31-4, Melatonine, N-Acetyl-5-methoxytryptamine, N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]acetamide, Circadin, 5-Methoxy-N-acetyltryptamine, Melatol, N-(2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide, Melovine, Melapure, Acetamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-, N-[2-(5-methoxyindol-3-yl)ethyl]acetamide, N-acetyl-5-methoxy-tryptamine, N-(2-(5-Methoxyindol-3-yl)ethyl)acetamide, NSC 113928, DTXSID1022421, Acetamide, N-(2-(5-methoxyindol-3-yl)ethyl)-, JL5DK93RCL, Acetamide, N-(2-(5-methoxy-1H-indol-3-yl)ethyl)-, NSC-56423, 5-methoxy n-acetyl-tryptamine, NSC-113928, J5.258B, BCI-049, NSC113928, Acetamide, N-[2-(5-methoxyindol-3-yl)ethyl]-, DTXCID002421, CHEBI:16796, NSC56423, N-[2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide, somease, Heidadouppi, Melaxen, Travelag, Vytalonin, Icenia, Vespro, General nutrit, Natures bounty, Quality health, Health aid, Amerix Melatonin, Life ext, Nature's blend, Safrel Melatonin, S.gard, Melatonin Phenolic, Melatonin 1527, Therapeutic Melatonin, MELATONIN CORD, RefChem:5990, MAX Sleep Junior Childrens SLEEP AID, 200-797-7, NSC-302012, Regulin, 8041-44-9, MFCD00005655, 3-(n-acetyl-2-aminoethyl)-5-methoxyindole, CHEMBL45, Melatonex, Melatonin (JAN), CAS-73-31-4, NCGC00015680-11, MELATONIN [JAN], S1204, M02088, Posidorm, Primex, WLN: T56 BMJ D2MV1 GO1, [3H]melatonin, Melatonina (TN), [3H]-melatonin, ML1, SMR000326666, CCRIS 3472, N-(2-(5-methoxyindol-3-yl)ethyl)-Acetamide, N-[2-(5-methoxyindol-3-yl)ethyl]-Acetamide, SR-01000075559, EINECS 200-797-7, UNII-JL5DK93RCL, BRN 0205542, [3H]MLT, Melatonine?, Guna-dermo, Melatonin CRS, HSDB 7509, Melatobel (TN), TNP00300, Prestwick_312, N-[2-(5-Methoxy-1H-indol-3-yl)-ethyl]-acetamide, Spectrum_000185, MELATONIN [DSC], Guna-dermo (Salt/Mix), MELATONIN [MI], MELATONIN [HSDB], Prestwick0_000458, Prestwick1_000458, Prestwick2_000458, Prestwick3_000458, Spectrum2_001344, Spectrum3_001393, Spectrum4_000066, Spectrum5_001745, Lopac-M-5250, MELATONIN [VANDF], M1105, Melatonin [EP monograph], ChemDiv2_003916, MELATONIN [MART.], M 5250, M-1200, Melatonin, >=99.5%, MELATONIN [USP-RS], MELATONIN [WHO-DD], Lopac0_000787, Oprea1_104553, Oprea1_814234, SCHEMBL19018, BSPBio_000536, BSPBio_003006, GTPL224, KBioGR_000591, KBioSS_000665, MELATONIN [EMA EPAR], 5-22-12-00042 (Beilstein Handbook Reference), Acetamide, {N-[2-(5-methoxyindol-3-yl)ethyl]-}, MLS000859594, MLS001055382, MLS001240204, BIDD:ER0618, DivK1c_000353, SPECTRUM1500690, Melatonin - Bio-X trade mark, N -Acetyl-5-methoxytryptamine, SPBio_001527, SPBio_002475, Melatonin (synth.) ultra-pure, MELATONIN [GREEN BOOK], BDBM9019, BPBio1_000590, GTPL1357, orb1307851, orb3025362, Acetamide, {N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-}, SCHEMBL29349848, HMS501B15, KBio1_000353, KBio2_000665, KBio2_003233, KBio2_005801, KBio3_002226, Melatonin 1.0 mg/ml in Methanol, NINDS_000353, GLXC-25215, HMS1380B22, HMS1569K18, HMS1921E04, HMS2089F09, HMS2096K18, HMS2233D23, HMS3262M16, HMS3370J20, HMS3413P14, HMS3654A22, HMS3677P14, HMS3713K18, HMS3884M05, HMS5079K15, HMS6019H04, Melatonin (synth.) standard-grade, HY-B0075, MSK10126, Tox21_110195, Tox21_201527, Tox21_302926, Tox21_500787, CCG-38837, EBC-08635, HSCI1_000400, Melatonin for system suitability CRS, Melatonin, powder, >=98% (TLC), SBB003265, STK386880, AKOS000276269, Tox21_110195_1, CS-1769, DB01065, FA01297, KS-1454, LP00787, SDCCGMLS-0065812.P001, SDCCGMLS-0065812.P002, SDCCGSBI-0050765.P003, IDI1_000353, IDI1_002631, SMP2_000309, N-acetyl-5-methoxy-tryptamine Melatonine, NCGC00015680-01, NCGC00015680-02, NCGC00015680-03, NCGC00015680-04, NCGC00015680-05, NCGC00015680-06, NCGC00015680-07, NCGC00015680-08, NCGC00015680-09, NCGC00015680-10, NCGC00015680-12, NCGC00015680-13, NCGC00015680-14, NCGC00015680-15, NCGC00015680-16, NCGC00015680-18, NCGC00015680-34, NCGC00015680-35, NCGC00090727-01, NCGC00090727-02, NCGC00090727-03, NCGC00090727-04, NCGC00090727-05, NCGC00090727-06, NCGC00090727-07, NCGC00090727-08, NCGC00090727-09, NCGC00256404-01, NCGC00259077-01, NCGC00261472-01, AC-10019, BA164660, NCI60_004378, ST057260, SY051401, AB00053279, EU-0100787, NS00009598, SW196607-4, C01598, D08170, AB00053279-10, AB00053279_12, EN300-6486827, {N-[2-(5-methoxyindol-3-yl)ethyl]-} Acetamide, L001261, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-Acetamide, Q180912, SR-01000075559-1, SR-01000075559-6, SR-01000075559-7, SR-01000075559-8, {N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-} Acetamide, BRD-K97530723-001-07-6, BRD-K97530723-001-11-8, BRD-K97530723-001-19-1, BRD-K97530723-001-20-9, N -[2-(5-Methoxy-1 H -indol-3-yl)ethyl]acetamide, , F1929-1777, Melatonin, British Pharmacopoeia (BP) Reference Standard, Z1191880499, 0E2B08C1-B325-45B1-8939-6F9081EFDFA4, Acetamide, N-[2-(5-methoxyindol-3-yl)ethyl]- (6CI,8CI), Melatonin Working Standard (Secondary Reference Standard), Acetamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]- (9CI), Melatonin, United States Pharmacopeia (USP) Reference Standard, Melatonin, Pharmaceutical Secondary Standard, Certified Reference Material

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1-Butanol	278.15	-	13.4	[268]
1-Butanol	283.15	-	17.43	[268]
1-Butanol	288.15	-	23.0	[268]
1-Butanol	293.15	-	30.3	[268]
1-Butanol	298.15	-	39.08	[268]
1-Butanol	303.15	-	50.98	[268]
1-Butanol	308.15	-	66.06	[268]
1-Butanol	313.15	-	84.37	[268]
1-Butanol	318.15	-	109.9	[268]
1-Butanol	323.15	-	139.6	[268]
1-Hexanol	278.15	-	7.19	[268]
1-Hexanol	283.15	-	9.379	[268]
1-Hexanol	288.15	-	12.78	[268]
1-Hexanol	293.15	-	16.37	[268]
1-Hexanol	298.15	-	21.29	[268]
1-Hexanol	303.15	-	27.43	[268]
1-Hexanol	308.15	-	35.54	[268]
1-Hexanol	313.15	-	45.65	[268]
1-Hexanol	318.15	-	57.79	[268]
1-Hexanol	323.15	-	74.17	[268]
1-Pentanol	278.15	-	11.26	[268]
1-Pentanol	283.15	-	14.63	[268]
1-Pentanol	288.15	-	19.35	[268]
1-Pentanol	293.15	-	24.73	[268]
1-Pentanol	298.15	-	31.44	[268]
1-Pentanol	303.15	-	39.94	[268]
1-Pentanol	308.15	-	50.47	[268]
1-Pentanol	313.15	-	63.29	[268]
1-Pentanol	318.15	-	79.42	[268]
1-Pentanol	323.15	-	96.95	[268]
1-Propanol	278.15	-	19.11	[268]
1-Propanol	283.15	-	25.07	[268]
1-Propanol	288.15	-	34.01	[268]
1-Propanol	293.15	-	46.34	[268]
1-Propanol	298.15	-	61.95	[268]
1-Propanol	303.15	-	79.99	[268]
1-Propanol	308.15	-	104.2	[268]
1-Propanol	313.15	-	132.7	[268]
1-Propanol	318.15	-	172.3	[268]
1-Propanol	323.15	-	226.8	[268]
2-Methoxyethanol	278.15	-	234.9	[269]
2-Methoxyethanol	283.15	-	265.2	[269]
2-Methoxyethanol	288.15	-	300.3	[269]
2-Methoxyethanol	293.15	-	337.8	[269]
2-Methoxyethanol	298.15	-	380.0	[269]
2-Methoxyethanol	303.15	-	431.3	[269]
2-Methoxyethanol	308.15	-	482.6	[269]
2-Methoxyethanol	313.15	-	546.1	[269]
2-Methoxyethanol	318.15	-	602.1	[269]
2-Methoxyethanol	323.15	-	675.6	[269]
Dimethylformamide	278.15	-	660.2	[269]
Dimethylformamide	283.15	-	721.0	[269]
Dimethylformamide	288.15	-	782.4	[269]
Dimethylformamide	293.15	-	856.9	[269]
Dimethylformamide	298.15	-	922.5	[269]
Dimethylformamide	303.15	-	1001.0	[269]
Dimethylformamide	308.15	-	1083.7	[269]
Dimethylformamide	313.15	-	1176.6	[269]
Dimethylformamide	318.15	-	1273.1	[269]
Dimethylformamide	323.15	-	1384.3	[269]
Ethanol	278.15	-	34.81	[268]
Ethanol	283.15	-	45.96	[268]
Ethanol	288.15	-	61.49	[268]
Ethanol	293.15	-	81.08	[268]
Ethanol	298.15	-	103.0	[268]
Ethanol	303.15	-	130.2	[268]
Ethanol	308.15	-	165.9	[268]
Ethanol	313.15	-	216.8	[268]
Ethanol	318.15	-	275.7	[268]
Ethanol	323.15	-	354.7	[268]
Glycol monoethyl ether	278.15	-	167.3	[269]
Glycol monoethyl ether	283.15	-	190.3	[269]
Glycol monoethyl ether	288.15	-	212.0	[269]
Glycol monoethyl ether	293.15	-	242.4	[269]
Glycol monoethyl ether	298.15	-	272.7	[269]
Glycol monoethyl ether	303.15	-	303.3	[269]
Glycol monoethyl ether	308.15	-	339.0	[269]
Glycol monoethyl ether	313.15	-	376.5	[269]
Glycol monoethyl ether	318.15	-	420.1	[269]
Glycol monoethyl ether	323.15	-	469.1	[269]
Isobutanol	278.15	-	10.39	[268]
Isobutanol	283.15	-	13.72	[268]
Isobutanol	288.15	-	18.57	[268]
Isobutanol	293.15	-	24.67	[268]
Isobutanol	298.15	-	32.09	[268]
Isobutanol	303.15	-	42.19	[268]
Isobutanol	308.15	-	53.59	[268]
Isobutanol	313.15	-	70.02	[268]
Isobutanol	318.15	-	89.54	[268]
Isobutanol	323.15	-	112.6	[268]
Methanol	278.15	-	68.57	[268]
Methanol	283.15	-	92.97	[268]
Methanol	288.15	-	124.2	[268]
Methanol	293.15	-	166.6	[268]
Methanol	298.15	-	211.0	[268]
Methanol	303.15	-	274.7	[268]
Methanol	308.15	-	355.7	[268]
Methanol	313.15	-	458.6	[268]
Methanol	318.15	-	593.1	[268]
Methanol	323.15	-	769.6	[268]
Methyl acetate	278.15	-	9.082	[268]
Methyl acetate	283.15	-	12.1	[268]
Methyl acetate	288.15	-	15.74	[268]
Methyl acetate	293.15	-	20.28	[268]
Methyl acetate	298.15	-	24.93	[268]
Methyl acetate	303.15	-	32.71	[268]
Methyl acetate	308.15	-	41.98	[268]
Methyl acetate	313.15	-	55.48	[268]
Methyl acetate	318.15	-	70.74	[268]
Methyl acetate	323.15	-	88.39	[268]

Molecule 3D descriptors

Descriptor	Value
PMI1	584.6406
PMI2	2475.8977
PMI3	3005.0094
NPR1	0.1946
NPR2	0.8239
RadiusOfGyration	3.6134
InertialShapeFactor	0.0014
Eccentricity	0.9809
Asphericity	0.5281
SpherocityIndex	0.0646
PBF	0.4369