Compound: 1,4-diaminobutane
SMILES: NCCCCN
InChIKey: KIDHWZJUCRJVML-UHFFFAOYSA-N
Synonyms: 1,4-diaminobutane, putrescine, 1,4-butanediamine, 110-60-1, butane-1,4-diamine, tetramethylenediamine, Butylenediamine, Putrescin, 1,4-Butylenediamine, Tetramethyldiamine, 1,4-Tetramethylenediamine, NSC-60545, V10TVZ52E4, DTXSID4041107, CHEBI:17148, 1,4 Butanediamine, 1,4 Diaminobutane, RefChem:177345, DTXCID2021107, 203-782-3, but-2-ynedinitrile, MFCD00008235, putrescina, Putreszin, Tetramethylendiamin, NSC 60545, BRN 0605282, H2N(CH2)4NH2, Putrescine, free base, AI3-25444, 1,4-Diamino-n-butane, Putrescine; NSC 60545; Putramine, CHEMBL46257, BUTANE, 1,4-DIAMINO-, PUT, CCRIS 6751, EINECS 203-782-3, UNII-V10TVZ52E4, butylene amine, HSDB 7865, tetramethylendiamine, 4-amino-butyl-amine, tetramethylene diamine, 1,4 diamino butane, 1,4-butane diamine, 1,4-diamino butane, Spectrum_001646, 1i7c, 1i7m, PUTRESCINE [MI], Spectrum2_001935, Spectrum3_001198, Spectrum4_000237, Spectrum5_001005, Lopac-P-7505, bmse000109, bmse000814, bmse000862, EC 203-782-3, 1,4-Diaminobutane, 99%, BUTANE,1,4-DIAMINO, Lopac0_000972, SCHEMBL21642, BSPBio_002875, KBioGR_000933, KBioSS_002126, orb104837, DivK1c_000716, SCHEMBL353057, SCHEMBL947607, SPBio_001969, .alpha.,.omega.-Butanediamine, Putrescine, analytical standard, GTPL2388, orb3027298, SCHEMBL1309048, SCHEMBL1942226, SCHEMBL3496828, SCHEMBL6249093, SCHEMBL7387161, KBio1_000716, KBio2_002126, KBio2_004694, KBio2_007262, KBio3_002375, 1a99, NINDS_000716, HY-N2407, NSC60545, BBL027703, BDBM50009385, EBC-03027, MSK000108, s5825, SBB059998, STL372697, AKOS000119071, CCG-205052, DB01917, SDCCGMLS-0066929.P001, SDCCGSBI-0050945.P003, IDI1_000716, NCGC00015837-01, NCGC00015837-02, NCGC00015837-03, NCGC00015837-07, NCGC00162302-01, BP-21408, NCI60_004431, CS-0022608, D0239, NS00009671, ST45255380, EN300-19074, C00134, C02896, F17678, P-7990, 1,4-Diaminobutane, puriss., >=99.0% (GC), F510109, Q410190, BRD-K75282878-300-05-3, InChI=1/C4H12N2/c5-3-1-2-4-6/h1-6H, 1,4-BUTANEDIAMINE (PUTRESCINE) (13C4, 98%), F1791-1258, Z104472592, A4738F6F-F1A1-4B30-BF38-866D5AC66C93, 58I
Theoretical properties:
molecular_formula: C4H12N2
molecular_weight: 88.15 g/mol
exact_mass: 88.100048391 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 3
heavy_atom_count: 6
topological_polar_surface_area: 52 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless oil
color: Colorless oil
odor: Strong piperidine-like odor
density: 0.877 g/cu cm at 25 °C
solubility: Soluble in water with strongly basic reaction
vapor_pressure: 4.12 [mmHg]
Descriptions:
pubchem: Putrescine is a four-carbon alkane-alpha,-diamine. It is obtained by the breakdown of amino acids and is responsible for the foul odour of putrefying flesh. It has a role as an antioxidant and a fundamental metabolite. It is a conjugate base of a 1,4-butanediammonium.
chebi: A four-carbon alkane-α,ω-diamine. It is obtained by the breakdown of amino acids and is responsible for the foul odour of putrefying flesh.
chembl: PUTRESCINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 3.0.
wikipedia: Putrescine is an organic compound with the formula (CH2)4(NH2)2. It is a colorless solid that melts near room temperature. It is classified as a diamine. Together with cadaverine, it is largely responsible for the foul odor of putrefying flesh, but also contributes to other unpleasant odors.