Compound: 1,6-Hexanediamine
SMILES: NCCCCCCN
InChIKey: NAQMVNRVTILPCV-UHFFFAOYSA-N
Synonyms: 1,6-Hexanediamine, Hexamethylenediamine, 124-09-4, HEXANE-1,6-DIAMINE, HMDA, HEXAMETHYLENE DIAMINE, 1,6-Hexylenediamine, 1,6-Diamino-n-hexane, diaminohexane, Hexane, 1,6-diamino-, NCI-C61405, HEX-NH2, NSC 9257, CCRIS 6224, H2N(CH2)6NH2, HSDB 189, UNII-ZRA5J5B2QW, EINECS 204-679-6, BRN 1098307, DTXSID5024922, AI3-37283, NSC-9257, HEXANEMETHYLENEDIAMINE-, DTXCID604922, CHEBI:39618, EC 204-679-6, 4-04-00-01320 (Beilstein Handbook Reference), RefChem:7518, HMD(A), 204-679-6, 1,6-Hexamethylenediamine, Hexylenediamine, MFCD00008243, ZRA5J5B2QW, CHEMBL303004, 6-aminohexylamine, HEXAMETHYLENE-1,6-13C2-DIAMINE, 1,6-DIAMINO(HEXANE-2,2,5,5-D4), 1,6-Diaminohexane-d12 dihydrochloride, 284474-80-2, 16D, CAS-124-09-4, vegetable-oil, N,N'-hexanediylbis-Amides1,6-Hexandiamine, vegetable oil fatty acids diamide vegetable-oil, n,n'-hexanediylbis-amide Amides,vegetable-oil,N,N'-hexanediylbis- 1,6-Hexandiamine,vegetable oil fatty acids diamide, UN1783, UN2280, 1,6diaminohexane, 1,6 diaminohexane, 1.6-diaminohexane, 1,6-diamino hexane, 1,6-hexamethylene diamine, Hexamethylenediamine, solid, Hexamethylenediamine, 98%, 1,6-Diaminohexane, 2HCl, WLN: Z6Z, Hexamethylene diamine, solid, NCIOpen2_002722, SCHEMBL15085, UN 1783 (Salt/Mix), SCHEMBL421078, SCHEMBL654031, SCHEMBL893396, SCHEMBL2821952, SCHEMBL3122863, SCHEMBL3495284, SCHEMBL6248244, SCHEMBL7090279, SCHEMBL7517212, 1,6-HEXANEDIAMINE [MI], NSC9257, HEXAMETHYLENE DIAMINE [HSDB], Tox21_202088, Tox21_303123, BBL027705, BDBM50323740, EBC-03090, MSK002130, SBB059999, STL281875, AKOS000118875, DB03260, FH16093, UN 2280, MSK002130-1000A, NCGC00091677-01, NCGC00091677-02, NCGC00257104-01, NCGC00259637-01, BP-14170, BP-21415, VS-08580, Hexamethylenediamine, technical grade, 70%, D0095, NS00001449, ST45255381, EN300-19313, G77311, AG-690/11351767, AG-690/11351768, F493072, Hexamethylenediamine, SAJ first grade, >=98.0%, Q424936, Hexamethylenediamine, solid [UN2280]  [Corrosive], Hexane-1,6-diamine 100 microg/mL in Acetonitrile, 1,6-Hexanediamine Solution in Acetonitrile, 1000ug/mL, Z104473514, InChI=1/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H
Theoretical properties:
molecular_formula: C6H16N2
molecular_weight: 116.20 g/mol
exact_mass: 116.131348519 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 5
heavy_atom_count: 8
topological_polar_surface_area: 52 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: COLORLESS LEAFLETS
color: COLORLESS LEAFLETS
odor: ODOR OF PIPERIDINE
boiling_point: 401 °F at 760 mmHg (NTP, 1992)
melting_point: 108 °F (NTP, 1992)
density: (anhyd.) 0.799 at 140.0 °F (70% soln.) 0.933 at 20 °C (USCG, 1999)
solubility: greater than or equal to 100 mg/mL at 73 °F (NTP, 1992)
flash_point: 178 °F (NTP, 1992)
vapor_pressure: 1.1 mmHg at 122 °F ; 3 mmHg at 140 °F (NTP, 1992)
Descriptions:
pubchem: Hexane-1,6-diamine is a C6 alkane-alpha,-diamine. It has a role as a human xenobiotic metabolite. It derives from a hydride of a hexane.
chebi: A C<small><sub>6</sub></small> alkane-α,ω-diamine.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Hexamethylenediamine or hexane-1,6-diamine, is the organic compound with the formula H2N(CH2)6NH2. The molecule is a diamine, consisting of a hexamethylene hydrocarbon chain terminated with amine functional groups. The colorless solid (yellowish for some commercial samples) has a strong amine odor.