BMRB

Biological Magnetic Resonance Data Bank


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

1-(1H-benzimidazol-2-yl)-N-methylmethanamine

1-(1H-benzimidazol-2-yl)-N-methylmethanamine bmse012398 - Data

1-(1H-benzimidazol-2-yl)-N-methylmethanamine synonyms

Wikipedia:

Graphical representations:

1-(1H-benzimidazol-2-yl)-N-methylmethanamine

View large 3D structure

Molecular Formula: C9H11N3

Natural Isotopic Abundance Mass: 161.20373999999998

Mono-Isotopic Molecular Masses:

  • C12N14: 161.095297367
  • C13N14: 170.12549090900004
  • C12N15: 164.08640204600002
  • C13N15: 173.11659558800005

InChI string: InChI=1S/C9H11N3/c1-10-6-9-11-7-4-2-3-5-8(7)12-9/h2-5,10H,6H2,1H3,(H,11,12)

IUPAC: b'1-(1H-benzimidazol-2-yl)-N-methylmethanamine'

EU-OPENSCREEN: EOS103151

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)