Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Putrescine (1,4 Diaminobutane)

Graphical representations:

Putrescine (1,4 diaminobutane) image

View large 3D structure

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

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

isomeric and canonical SMILES: C(CCN)CN


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.

Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,