Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB


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Molecular Formula: C10H12N2

Natural Isotopic Abundance Mass: 160.2156800000

Mono-Isotopic Molecular Masses:

  • C12N14: 160.100048396
  • C13N14: 170.133596774
  • C12N15: 162.094118182
  • C13N15: 172.12766656

InChI string: InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2

IUPAC: 2-(1H-indol-3-yl)ethanamine

PubChem Compound (CID): 1150
KEGG Compound ID: C00398
CAS Registry number: 343-94-2 34685-69-3 61-54-1
ChEBI: 16765
EINECS: 200-510-5
Beilstein Handbook Reference: 5-22-10-00045
PDB Compound ID: TSS

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,