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:


View large 3D structure

Molecular Formula: C7H15N

Natural Isotopic Abundance Mass: 113.2007

Mono-Isotopic Molecular Masses:

  • C12N14: 113.1204494867
  • C13N14: 120.1439333513
  • C12N15: 114.1174843799
  • C13N15: 121.1409682445

InChI string: InChI=1S/C7H15N/c1-2-7-5-3-4-6-8-7/h7-8H,2-6H2,1H3/t7-/m1/s1

PubChem Compound (CID): 94205
CAS Registry number: 1484-80-6
ChEBI: CHEBI:127752
DTP/NCI: 211477
NIST: 3625152701
MMCD: cq_11162
CAS Registry number: 1484-80-6
PDB Compound ID: 2EP

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,