BMRB

Biological Magnetic Resonance Data Bank


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

2-methylaniline

2-methylaniline bmse012627 - Data

2-methylaniline synonyms

Wikipedia:

Graphical representations:

2-methylaniline

View large 3D structure

Molecular Formula: C7H9N

Natural Isotopic Abundance Mass: 107.15306

Mono-Isotopic Molecular Masses:

  • C12N14: 107.073499293
  • C13N14: 114.09698315900002
  • C12N15: 108.070534186
  • C13N15: 115.09401805200002

InChI string: InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3

IUPAC: b'2-Methylaniline'

BMRB Ligand Expo: 51V
EU-OPENSCREEN: EOS103457

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)