3-aminobenzonitrile

3-aminobenzonitrile bmse012158 - Data

3-aminobenzonitrile synonyms

Wikipedia:

Graphical representations:

3-aminobenzonitrile

View large 3D structure

Molecular Formula: C7H6N2

Natural Isotopic Abundance Mass: 118.13593999999998

Mono-Isotopic Molecular Masses:

  • C12N14: 118.053098202
  • C13N14: 125.07658206800002
  • C12N15: 120.04716798800001
  • C13N15: 127.07065185400003

InChI string: InChI=1S/C7H6N2/c8-5-6-2-1-3-7(9)4-6/h1-4H,9H2

IUPAC: b'3-Aminobenzonitrile'

BMRB Ligand Expo: 71G
EU-OPENSCREEN: EOS102885

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)