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Substance Name: Benzeneacetonitrile, alpha-butyl-
RN: 3508-98-3
InChIKey: OTERUZJEJFMEEB-UHFFFAOYSA-N

Classification Code

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C12-H15-N

Molecular Weight

  • 173.258
 
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Names and Synonyms

Synonyms

  • alpha-Butylbenzeneacetonitrile
  • EC 423-460-8

Systematic Names

  • 2-Phenylhexanenitrile
  • Benzeneacetonitrile, alpha-butyl-

Registry Numbers

CAS Registry Number

  • 3508-98-3

Other Registry Number

  • 90355-13-8

System Generated Number

  • 0003508983

Structure Descriptors

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

InChIKey

OTERUZJEJFMEEB-UHFFFAOYSA-N

Smiles

N#C[C@@H](c1ccccc1)CCCC