Biological Magnetic Resonance Data Bank

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


Graphical representations:


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Molecular Formula: C3H10N2

Natural Isotopic Abundance Mass: 74.1249000000

Mono-Isotopic Molecular Masses:

  • C12N14: 74.0843983314
  • C13N14: 77.0944628448
  • C12N15: 76.0784681178
  • C13N15: 77.0944628448

InChI string: InChI=1/C3H10N2/c4-2-1-3-5/h1-5H2

IUPAC: propane-1,3-diamine

PubChem Compound (CID): 428
KEGG Compound ID: C00986
CAS Registry number: 10517-44-9 109-76-2 54018-94-9
ChEBI: 15725
NSC: 8154
Beilstein Handbook Reference: 4-04-00-01258
CCRIS: 4054
EINECS: 203-702-7

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,