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: C5H14N4

Natural Isotopic Abundance Mass: 130.1914600000

Mono-Isotopic Molecular Masses:

  • C12N14: 130.12184647
  • C13N14: 135.138620659
  • C12N15: 134.109986043
  • C13N15: 139.126760232

InChI string: InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)

IUPAC: 2-(4-aminobutyl)guanidine

PubChem Compound (CID): 199
KEGG Compound ID: C00179
CAS Registry number: 306-60-5
ChEBI: 17431
EINECS: 206-187-7
NSC: 56332
PDB Compound ID: AG2

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,