bmse000109 Putrescine (1,4 diaminobutane) at BMRB

Putrescine (1,4 diaminobutane)

Putrescine; 1,4-BUTANEDIAMINE; 1,4-Diaminobutane; Putrescin; 1,4-Tetramethylenediamine; Tetramethylenediamine; 1,4-Butylenediamine; 1,4-Butanediamine; Butylenediamine; Tetramethyldiamine

Molecular Formula: C4 H12 N2
Natural Isotopic Abundance Mass: 88.1514800000
Mono-Isotopic Molecular Masses: C12N14: 88.1000483956; C13N14: 92.1134677468; C12N15: 90.094118182; C13N15: 94.1075375332

Putrescine (1,4 diaminobutane)

InCHi String:
InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2

isomeric and canonical SMILES:
C(CCN)CN

IUPAC
butane-1,4-diamine

PubChem Substance (SID):   85164945   151181   3434
PubChem Compound (CID):   1045
KEGG: Compound ID   C00134
CAS Registry IDs:   110-60-1
PDB Chemical Component   PUT
Miscellaneous Databases and IDs:   CHEBI 17148   EINECS 203-782-3   NSC 60545   Beilstein Handbook Reference 4-04-00-01283   CCRIS 6751

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.