BMRB

Biological Magnetic Resonance Data Bank


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

N-(pyridin-3-ylmethyl)ethanamine

N-(pyridin-3-ylmethyl)ethanamine bmse012549 - Data

N-(pyridin-3-ylmethyl)ethanamine synonyms

Wikipedia:

Graphical representations:

N-(pyridin-3-ylmethyl)ethanamine

View large 3D structure

Molecular Formula: C8H12N2

Natural Isotopic Abundance Mass: 136.19428

Mono-Isotopic Molecular Masses:

  • C12N14: 136.100048394
  • C13N14: 144.12688709800003
  • C12N15: 138.09411818
  • C13N15: 146.12095688400004

InChI string: InChI=1S/C8H12N2/c1-2-9-6-8-4-3-5-10-7-8/h3-5,7,9H,2,6H2,1H3

IUPAC: b'N-(pyridin-3-ylmethyl)ethanamine'

EU-OPENSCREEN: EOS103337

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, https://www.nature.com/articles/sdata201773)