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Substance Name: 2-Phenylpropionitrile
RN: 1823-91-2
InChIKey: NVAOLENBKNECGF-UHFFFAOYSA-N

Molecular Formula

  • C9-H9-N

Molecular Weight

  • 131.177
 
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Names and Synonyms

Name of Substance

  • 2-Phenylpropionitrile

Synonyms

  • 2-Phenylpropanenitrile
  • 2-Phenylpropionitrile
  • AI3-07025
  • alpha-Methylbenzyl cyanide
  • alpha-Phenylethyl cyanide
  • alpha-Phenylpropionitrile
  • EINECS 217-354-9
  • Hydratroponitrile
  • NSC 11264
  • NSC 37485

Systematic Names

  • 2-Phenylpropiononitrile
  • Benzeneacetonitrile, alpha-methyl-

Registry Numbers

CAS Registry Number

  • 1823-91-2

Other Registry Number

  • 42253-96-3

System Generated Number

  • 0001823912

Structure Descriptors

InChI

1S/C9H9N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,1H3

InChIKey

NVAOLENBKNECGF-UHFFFAOYSA-N

Smiles

c1([C@@H](C#N)C)ccccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 231 deg C   EXP
log P (octanol-water) 1.980 (none)   EST
Atmospheric OH Rate Constant 5.16E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.