Chem
J-GLOBAL ID：200907083525500678   Nikkaji number：J819.058E

2-Phenylhexanenitrile

2-フェニルヘキサンニトリル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C12H15N
Molecular formula furigana： C12-H15-N
Molecular weight： 173.259
InChI： InChI=1S/C12H15N/c1-2-3-7-12(10-13)11-8-5-4-6-9-11/h4-6,8-9,12H,2-3,7H2,1H3
InChI key： OTERUZJEJFMEEB-UHFFFAOYSA-N
SMILES： CCCCC(C#N)c1ccccc1
Systematic name  (4)：
  • 2-フェニルヘキサンニトリル
  • α-ブチルフェニルアセトニトリル
  • α-ブチルベンゼンアセトニトリル
  • 2-phenylhexanenitrile
Other name (3)：
  • 2-Phenylhexanenitrile
  • α-Butylphenylacetonitrile
  • α-Butylbenzeneacetonitrile
CAS registry number： 3508-98-3
Regulation number (1)：
  • TSCA(3508-98-3)
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