BMRB

Biological Magnetic Resonance Data Bank


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

(2S)-2-amino-2-(3-chlorophenyl)acetonitrile

(2S)-2-amino-2-(3-chlorophenyl)acetonitrile bmse012136 - Data

(2S)-2-amino-2-(3-chlorophenyl)acetonitrile synonyms

Wikipedia:

Graphical representations:

(2S)-2-amino-2-(3-chlorophenyl)acetonitrile

View large 3D structure

Molecular Formula: C8H7ClN2

Natural Isotopic Abundance Mass: 166.60758

Mono-Isotopic Molecular Masses:

  • C12N14: 166.029775914
  • C13N14: 174.05661461800003
  • C12N15: 168.0238457
  • C13N15: 176.05068440400004

InChI string: InChI=1S/C8H7ClN2/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,8H,11H2/t8-/m1/s1

EU-OPENSCREEN: EOS102862

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)