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: C7H19N3

Natural Isotopic Abundance Mass: 145.2458600000

Mono-Isotopic Molecular Masses:

  • C12N14: 145.157897625
  • C13N14: 152.18138149
  • C12N15: 148.149002305
  • C13N15: 155.1724861697

InChI string: InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2

IUPAC: N-(3-aminopropyl)butane-1,4-diamine

PubChem Compound (CID): 1102
KEGG Compound ID: C00315
CAS Registry number: 124-20-9
ChEBI: 16610
EINECS: 204-689-0
Beilstein Handbook Reference: 4-04-00-01300
PDB Compound ID: SPD

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,