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:

Trimethylamine image

View large 3D structure

Molecular Formula: C3 H9 N

Natural Isotopic Abundance Mass: 59.1102600000

Mono-Isotopic Molecular Masses:

  • C12N14: 59.0734992941
  • C13N14: 62.0835638075
  • C12N15: 60.0705341873
  • C13N15: 63.0805987007

InChI String: InChI=1S/C3H9N/c1-4(2)3/h1-3H3

isomeric and canonical SMILES: CN(C)C


PubChem Substance (SID):   85165035   149321   3844
PubChem Compound (CID):   1146
KEGG: Compound ID   C00565
CAS Registry IDs:   20230-89-1   2840-24-6   4558-12-7   593-81-7   75-50-3
PDB Chemical Component   KEN
Miscellaneous Databases and IDs:   CHEBI 18139   HSDB 808   CCRIS 6283   EINECS 200-875-0   FEMA No. 3241   FEMA Number 3241

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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,