Hexamethylenetetramine
CAS Number: 100-97-0
Molecular Mass: 140.19 g/mol
Formula: C6H12N4
Smiles: C1N2CN3CN1CN(C2)C3
Synonymes:
Hexamethylenetetramine, methenamine, 100-97-0, Hexamine, Urotropine, Urotropin, 1,3,5,7-Tetraazaadamantane, Uritone, HMTA, Hexamethylenamine, Formamine, Hexamethylene tetramine, Methenamin, Ammoform, Cystamin, Cystogen, Ammonioformaldehyde, Formin, Aceto HMT, Hexamethylenetetraamine, Aminoformaldehyde, Preparation AF, Antihydral, Duirexol, Hexaform, Metenamina, Resotropin, Uratrine, Urodeine, Xametrin, Heterin, Uramin, Hexamethyleneamine, Hexilmethylenamine, Hexa-Flo-Pulver, Ekagom H, methenaminum, Hexaminum, Herax UTS, Hexamethylentetramin, Nocceler H, Sanceler H, Formin (heterocycle), Hexamine (heterocycle), Vulkacit H 30, Hexamethylentetraminum, 1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane, S 4 (heterocycle), Hexamethylenetetraminum, Esametilentetramina, Methamin, DTXSID6020692, Hexa (vulcanization accelerator), Urisol, 1,3,5,7-Tetraazatricyclo(3.3.1.13,7)decane, J50OIX95QV, NSC-26346, INS NO.239, INS-239, NSC-403347, E239, DTXCID00692, CHEBI:6824, E-239, 1,3,5,7-Tetraazatricyclo[3.3.1.1(3,7)]decane, Silver, Hexamine, Methenamine, Silver, Silver, Methenamine, 1,3,5,7-Tetraazatricyclo(3.3.1.1(3,7))decane, 1,3,5,7-Tetraazatricyclo[3.3.1.1{3,7}]decane, Urasal, RefChem:6015, J01XX05, 202-905-8, 925-145-5, Aminoform, Hexaloids, Metramine, Hexasan, Hexamethylentetramine, Hexasan (VAN), Metenamine, Uro-phosphate, 1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decane, Vesaloin, HMT, 1,3,5,7-Tetraazatricyclo (3.3.1.1(3,7))decane, MFCD00006895, Hexamine (JAN), Hexamine (TN), 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane, Hexamethylenetetramine (aliphatic), Silver Methenamine, Methenamine (USP/INN), 1,3,5,7-Tetraazatricyclo(3.3.1.1(sup 37))decane, H.M.T., Formin (the heterocyclic compound), 1,3,5,7-tetraazatricyclo[3.3.1.1?,?]decane, NSC26346, 1,3,5,7-Tetraazatricyclo(3.3.1.1(sup 3,7))decane, NCGC00094719-04, HEXAMINE [JAN], Hexamine Silver, Methenamine Silver, 1,3,5,7-tetraazatricyclo[3.3.1.1^{3,7}]decane, Caswell No. 482, Methenamine [USAN:INN], Sanceler HT, Metenamina [INN-Spanish], Methenaminum [INN-Latin], Heksa K, Hexamine Superfine, Nocceler H-PO, Sanceler HT-PO, Hexa B, CAS-100-97-0, Esametilentetramina [Italian], Hexamethylentetramin [German], SMR000857139, Cohedur H 30, CCRIS 2297, HSDB 563, hexamethylene-tetramine, NSC403347, Rhenogran HEXA 80, Thixon 715B, SR-05000002024, Methenamine [USP:INN], 1,3,5,7-tetraazatricyclo[3.3.1.1<3,7>]decane, EINECS 202-905-8, NSC 26346, UN1328, UNII-J50OIX95QV, 1,3,5,7-Tetraazatricyclo[3.3.1.1(sup 3,7)]decane, EPA Pesticide Chemical Code 045501, NSC 403347, Naphthamine, Carin, EL 10 (corrosion inhibitor), AI3-09611, Methenamine CRS, HEXAMETHYLENETETRAMINE, ACS, EL 10, Prestwick_79, Vulkacit H30, 1,3,5,7-Tetraazatricyclo[3.3.1.13,7 ]decane, Grasselerator 102, Cystex (Salt/Mix), 37604-90-3, hexam-ethylenetetraamine, hexamethylene tetraamine, Spectrum_000991, METHENAMINE [MI], Spectrum2_000827, Spectrum3_001730, Spectrum4_000872, Spectrum5_001603, Methenamine (Mandelamine), METHENAMINE [INN], Formaldehyde-ammonia 6:4, [16]-Adamazane, INN, component of Uro-Phosphate, METHENAMINE [HSDB], Uro-phosphate (Salt/Mix), 1,5,7-Tetraazaadamantane, EC 202-905-8, Hexamethylentetramin(german), METHENAMINE [VANDF], Hexamethylenetetramine, 8CI, METHENAMINE [MART.], SCHEMBL33785, BSPBio_003380, Hexamethylenetetramine, tech., KBioGR_001563, KBioSS_001471, METHENAMINE [USP-RS], METHENAMINE [WHO-DD], Hexamethylenetetramine [UN1328] [Flammable solid], MLS001332361, MLS001332362, MLS002207085, DivK1c_000322, Hexamethylenetetramine (NIST), SPECTRUM1500394, SPBio_000753, Hexamethylenetetramine, BioXtra, CHEMBL1201270, 1,3,5,7-Tetraazatricyclodecane, GTPL10913, HMS501A04, KBio1_000322, KBio2_001471, KBio2_004039, KBio2_006607, KBio3_002600, NINDS_000322, HMS1920L13, HMS2091D08, HMS2233B09, HMS3371O15, HMS3652A05, HMS3715D17, METHENAMINE [EP MONOGRAPH], Pharmakon1600-01500394, METHENAMINE [USP MONOGRAPH], HY-B0514, STR00289, Tox21_113455, Tox21_201606, Tox21_300502, CCG-40289, EBC-03957, Hexamethylenetetramine, LR, >=99%, NSC757101, s3139, SBB008794, STL197471, AKOS000120003, AKOS005169648, Tox21_113455_1, Urotropine 100 microg/mL in Methanol, DB06799, FH23803, NSC-757101, IDI1_000322, NCGC00094719-01, NCGC00094719-02, NCGC00094719-03, NCGC00094719-05, NCGC00094719-06, NCGC00094719-08, NCGC00254463-01, NCGC00259155-01, SBI-0051439.P003, H0093, Hexamethylenetetramine, ReagentPlus(R), 99%, NS00006016, ST50823696, SW199604-2, EN300-16855, 1,5,7-Tetraazatricyclo[3.3.1.13,7]decane, D00393, Hexamethylenetetramine, ACS reagent, >=99.0%, Q71969, AB00052038_08, AB00052038_09, 1,3,5,7-tetraaza-tricyclo[3.3.1.13,7]decane, 1,3,5,7-tetraazatricyclo-[3.3.1.13,7]decane, 1,3,5,7-tetraazatricyclo[3,3,1,13,7]decane, 1,3,5,7-tetraazatricyclo[3.3.1.1,3,7]decane, AE-641/00560026, WLN: T66 B6 A B-C 1B I BN DN FN HNTJ, Hexamethylenetetramine [UN1328] [Flammable solid], Hexamethylenetetramine, analytical reference material, Hexamethylenetetramine, p.a., ACS reagent, 99.0%, Hexamethylenetetramine, SAJ first grade, >=98.5%, SR-05000002024-1, SR-05000002024-3, 1,3,5,7-tetraaza-tricyclo[3.3.1.1*3,7*]decane, 1,3,5,7-Tetraazatricyclo-[3.3.1.1(3,7)]decane, BRD-K30114692-001-10-0, BRD-K30114692-001-15-9, BRD-K30114692-001-16-7, Hexamethylenetetramine, JIS special grade, >=99.0%, F2173-0429, Z362014242, Methenamine, European Pharmacopoeia (EP) Reference Standard, 1,3,5,7-TETRAAZATRICYCLO(3.3.1.1 SUP(3,7))DECANE, Methenamine, United States Pharmacopeia (USP) Reference Standard, InChI=1/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H, Hexamethylenetetramine, anhydrous, free-flowing, Redi-Dri(TM), ACS reagent, >=99.0%
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| Acetic acid | 304.52 | - | 784.6 | [423] |
| Acetic acid | 310.83 | - | 781.4 | [423] |
| Acetic acid | 317.35 | - | 780.0 | [423] |
| Acetic acid | 321.91 | - | 788.3 | [423] |
| Acetic acid | 327.65 | - | 787.1 | [423] |
| Acetic acid | 332.65 | - | 787.8 | [423] |
| Acetic acid | 337.15 | - | 801.9 | [423] |
| Ethanol | 288.19 | - | 20.7 | [423] |
| Ethanol | 293.49 | - | 23.3 | [423] |
| Ethanol | 298.43 | - | 25.83 | [423] |
| Ethanol | 303.4 | - | 28.8 | [423] |
| Ethanol | 312.91 | - | 35.3 | [423] |
| Methanol | 299.91 | - | 82.25 | [423] |
| Methanol | 304.45 | - | 87.9 | [423] |
| Methanol | 307.85 | - | 92.19 | [423] |
| Methanol | 311.9 | - | 97.5 | [423] |
| Methanol | 315.95 | - | 101.6 | [423] |
| Methanol | 319.63 | - | 105.1 | [423] |
| Methanol | 323.65 | - | 110.0 | [423] |
| Methanol | 326.25 | - | 115.2 | [423] |
| Methanol | 330.85 | - | 120.9 | [423] |
| Water | 303.21 | - | 840.0 | [423] |
| Water | 307.4 | - | 818.8 | [423] |
| Water | 312.18 | - | 806.8 | [423] |
| Water | 317.05 | - | 791.4 | [423] |
| Water | 321.86 | - | 771.7 | [423] |
| Water | 326.15 | - | 753.8 | [423] |
| Water | 330.45 | - | 749.4 | [423] |
| Water | 335.42 | - | 749.5 | [423] |
| Water | 340.35 | - | 766.6 | [423] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 265.7901 |
| PMI2 | 265.7902 |
| PMI3 | 265.7904 |
| NPR1 | 1.0000 |
| NPR2 | 1.0000 |
| RadiusOfGyration | 1.6864 |
| InertialShapeFactor | 0.0038 |
| Eccentricity | 0.0013 |
| Asphericity | 0.0000 |
| SpherocityIndex | 1.0000 |
| PBF | 1.0664 |