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: C6H18N4

Natural Isotopic Abundance Mass: 146.23392

Mono-Isotopic Molecular Masses:

  • C12N14: 146.1531465986
  • C13N14: 152.1732756254
  • C12N15: 150.1412861714
  • C13N15: 156.1614151982

InChI string: InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2

PubChem Compound (CID): 5565
CAS Registry number: 112-24-3
MMCD: cq_04218
CAS Registry number: 112-24-3
MMDB: 48664.3
KEGG Compound ID: C07166
NCGC: NCGC00091695-01
NIST Chemistry WebBook: 1419104067
PDB Compound ID: 104

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,