Compound: histamine
SMILES: N=1C(=C[N]C1)CCN
InChIKey: IRJSYYGENFUUIR-UHFFFAOYSA-N
Synonyms: histamine, 51-45-6, 2-(1H-imidazol-5-yl)ethanamine, Ergamine, Ergotidine, 1H-Imidazole-4-ethanamine, 2-(4-Imidazolyl)ethylamine, Eramin, 5-Imidazoleethylamine, Theramine, Free histamine, beta-Aminoethylimidazole, 4-(2-Aminoethyl)-1H-imidazole, beta-Aminoethylglyoxaline, Imidazole-4-ethylamine, 4-Imidazoleethylamine, beta-Imidazolyl-4-ethylamine, Imidazole, 4-(2-aminoethyl)-, CHEBI:18295, NSC-33792, DTXSID4023125, DTXCID103125, 820484N8I3, 2-(3H-imidazol-4-yl)ethanamine, NSC33792, ALEROFF, RefChem:5888, 200-100-6, 2-(1H-Imidazol-4-yl)ethanamine, 2-(1H-imidazol-4-yl)ethan-1-amine, 2-Imidazol-4-ylethylamine, Histamine Base, Histamine, Free Base, Istamina, 1H-Imidazole-5-ethanamine, 2-(3H-Imidazol-4-yl)-ethylamine, Ethylamine, 2-imidazol-4-yl-, L-histamine, [3H]histamine, MFCD00005210, beta-aminothethylglyoxaline, L-Histamin base, .beta.-Aminoethylglyoxaline, NSC 33792, 2-(1H-imidazol-5-yl)ethan-1-amine, CHEMBL90, .beta.-Aminoethylimidazole, 2-imidazol-5-ylethylamine, 4-(2-Aminoethyl)imidazole, MLS000069447, .beta.-Imidazolyl-4-ethylamine, 2-(1H-Imidazol-4-yl)ethylamine, Histamine [USAN], Istamina [Italian], NCGC00015513-04, SMR000059091, imidazole, 4(5)-(2-aminoethyl)-, CAS-51-45-6, Histaminum (TN), Histamine (DCF), CCRIS 6535, HSDB 3338, EINECS 200-100-6, 2-(1H-imidazol-5-yl)ethanamine dihydrochloride, 3h-histamine, imido-, Racemic histamine, Histamine CRS, 1avn, 1qft, UNII-820484N8I3, ALBB-005968, Histamine (Standard), Spectrum_000845, HISTAMINE [MI], HISTAMINE [HSDB], Opera_ID_1772, Spectrum2_000665, Spectrum3_000452, Spectrum4_000960, Spectrum5_000796, HISTAMINE [VANDF], Lopac-H-7250, b-Imidazolyl-4-ethylamine, bmse000744, HISTAMINE [MART.], Histamine, >=97.0%, HISTAMINE [WHO-DD], SCHEMBL2279, 748 - Fish based sample, 2-(4-Imidazolyl)ethanamine, 2-imidazol-4-yl-Ethylamine, Epitope ID:2279308, Lopac0_000595, WLN: T5M CNJ D2Z, BSPBio_001117, BSPBio_002124, KBioGR_000457, KBioGR_001580, KBioSS_000457, KBioSS_001325, DivK1c_000308, Histamine, analytical standard, SCHEMBL288432, SPBio_000729, (1H-imidazol-4-yl)ethylamine, BDBM7966, GTPL1204, GTPL1247, orb1310123, SCHEMBL4763745, SCHEMBL5107846, SCHEMBL8772952, SCHEMBL9436072, SCHEMBL9739518, BCBcMAP01_000250, HY-B1204R, KBio1_000308, KBio2_000457, KBio2_001325, KBio2_003025, KBio2_003893, KBio2_005593, KBio2_006461, KBio3_000853, KBio3_000854, KBio3_001344, F411C768-A159-4FC0-A195-291A08BB03AA, 2-(1H-Imidazol-5-yl)ethylamine, 2-(3H-imidazol-4-yl)ethylamine, NINDS_000308, Bio1_000487, Bio1_000976, Bio1_001465, Bio2_000389, Bio2_000869, ethylamine, 2-(4'-imidazolyl)-, HMS1362G19, HMS1792G19, HMS1990G19, HMS3403G19, HMS3743G03, HMS3885M14, HMS5082B09, 2-(1H-Imidazol-4-yl)-ethylamine, HY-B1204, Tox21_110166, [2-(1H-imidazol-4-yl)ethyl]amine, 2-(1H-Imidazol-4-yl)ethanamine #, BBL004932, BDBM50121205, EBC-26045, Histamine Dihydrochloride (Salt/Mix), MFCD00128939, MSK000566, s3968, SBB012708, STK346752, AKOS000274386, AKOS009158347, HISTAMINE FREE BASE CRYSTALLINE, Histamine, base, >=97.0% (NT), Tox21_110166_1, CCG-204684, CS-4697, DB05381, FS-5386, SDCCGMLS-0066601.P001, SDCCGSBI-0050577.P005, IDI1_000308, IDI1_002144, s10979, SMP1_000151, NCGC00015513-01, NCGC00015513-02, NCGC00015513-03, NCGC00015513-05, NCGC00015513-06, NCGC00015513-07, NCGC00015513-08, NCGC00015513-09, NCGC00015513-10, NCGC00015513-11, NCGC00015513-25, NCGC00093371-02, NCGC00093371-03, NCGC00093371-04, NCGC00093371-05, AC-13185, BP-11484, FH145712, Histamine, Free Base - CAS 51-45-6, ST073926, SY041787, SBI-0050577.P004, CS-0368357, NS00004684, T0965, 2-(1H-IMIDAZOL-4-YL)-1-ETHANAMINE, EN300-78991, Histamine, Vetec(TM) reagent grade, >=97%, C00388, D08040, F10913, Q61233, AB00053481_20, AB00053481_21, F078943, L000292, BRD-K01674964-001-19-0, BRD-K01674964-300-06-3, BRD-K01674964-300-07-1, BRD-K01674964-300-08-9, BRD-K01674964-316-01-0, Histamine, EuropePharmacopoeia (EP) Reference Standard, F2173-0575, 117932-92-0
Theoretical properties:
molecular_formula: C5H9N3
molecular_weight: 111.15 g/mol
exact_mass: 111.079647300 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 2
heavy_atom_count: 8
topological_polar_surface_area: 54.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: NEEDLES FROM CHLOROFORM
color: NEEDLES FROM CHLOROFORM
boiling_point: 209-210 °C @ 18 MM HG
solubility: COLORLESS LONG PRISMATIC CRYSTALS; ODORLESS; 1 G SOL IN ABOUT 4 ML WATER; AQ SOLN IS ACID TO LITMUS; WHEN DRIED AT 105 °C FOR 2 HR, IT MELTS AT ABOUT 140 °C /PHOSPHATE/
Descriptions:
pubchem: Histamine is a member of the class of imidazoles that is 1H-imidazole substituted at position C-4 by a 2-aminoethyl group. It has a role as a neurotransmitter, a mouse metabolite and a human metabolite. It is a member of imidazoles and an aralkylamino compound. It is a conjugate base of a histaminium.
wikipedia: Histamine or histamin is an organic nitrogenous compound involved in local immune responses communication, as well as regulating physiological functions in the gut and acting as a neurotransmitter for the brain, spinal cord, and uterus. Discovered in 1910, histamine has been considered a local hormone (autocoid) because it is produced without involvement of the classic endocrine glands; however, in recent years, histamine has been recognized as a central neurotransmitter. Histamine is involved in the inflammatory response and has a central role as a mediator of itching. As part of an immune response to foreign pathogens, histamine is produced by basophils and by mast cells found in nearby connective tissues. Histamine increases the permeability of the capillaries to white blood cells and some proteins, to allow them to engage pathogens in the infected tissues. It consists of an imidazole ring attached to an ethylamine chain; under physiological conditions, the amino group of the side-chain is protonated.