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)

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Molecular Formula: C4H12N2

Natural Isotopic Abundance Mass: 88.1514800000

Mono-Isotopic Molecular Masses:

  • C12N14: 88.1000483956
  • C13N14: 92.1134677468
  • C12N15: 90.094118182
  • C13N15: 92.1134677468

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

IUPAC: butane-1,4-diamine

PubChem Compound (CID): 1045
KEGG Compound ID: C00134
CAS Registry number: 110-60-1
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.

InChI string and atom numbering calculated using ALATIS (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,