bmse000744 Histamine at BMRB

Histamine

Histamine; Ergamine; Istamina; 2-(1H-imidazol-4-yl)ethanamine; 2-(4-Imidazolyl)ethylamine; Theramine; Ethylamine, 2-imidazol-4-yl-; Eramin; beta-Imidazolyl-4-ethylamine; Imidazole-4-ethylamine; Ergotidine

Molecular Formula: C5 H9 N3
Natural Isotopic Abundance Mass: 111.14506
Mono-Isotopic Molecular Masses: C12N14: 111.0796473045; C13N14: 116.0964214935; C12N15: 114.0707519841; C13N15: 119.0875261731

Histamine

InCHi String:
InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)

canonical and isomeric SMILES:
C1=C(NC=N1)CCN

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
2-(1H-imidazol-5-yl)ethanamine

PUBCHEM iupac TRADITIONAL NAME
2-(1H-imidazol-5-yl)ethylamine

PubChem Substance (SID):   111677875   148610   92297625
PubChem Compound (CID):   774
KEGG: Compound ID   C00388
CAS Registry IDs:   64422-25-9   51-45-6   924364-91-0
PDB Chemical Component   HSM
Miscellaneous Databases and IDs:   CAS 51-45-6   MMCD cq_00278   ChEBI CHEBI:18295   EPA DSSTox 23125   ChemBank KBio3_000854   BindingDB 22554   HSDB 3338   ChemIDplus 000051456   EINECS 200-100-6   CCRIS 6535   NIST 2091433968

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.