Biological Magnetic Resonance Data Bank

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


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Molecular Formula: C5H14N2

Natural Isotopic Abundance Mass: 102.1780600000

Mono-Isotopic Molecular Masses:

  • C12N14: 102.11569846
  • C13N14: 107.132472649
  • C12N15: 104.109768246
  • C13N15: 107.132472649

InChI string: InChI=1/C5H14N2/c6-4-2-1-3-5-7/h1-7H2

IUPAC: pentane-1,5-diamine

PubChem Compound (CID): 273
KEGG Compound ID: C01672
CAS Registry number: 462-94-2
ChEBI: 18127
Beilstein Handbook Reference: 4-04-00-01310
EINECS: 207-329-0

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,