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Substance Name: Benzenebutanenitrile, alpha,alpha,gamma-trimethyl-
RN: 75490-39-0
InChIKey: GWCCFAFCQHECBM-UHFFFAOYSA-N

Classification Code

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

Molecular Formula

  • C13-H17-N

Molecular Weight

  • 187.284
 
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Names and Synonyms

Synonym

  • EC 422-580-8

Systematic Names

  • 2,2,4-Trimethyl-4-phenyl-butane-nitrile
  • Benzenebutanenitrile, alpha,alpha,gamma-trimethyl-

Registry Numbers

CAS Registry Number

  • 75490-39-0

System Generated Number

  • 0075490390

Structure Descriptors

InChI

1S/C13H17N/c1-11(9-13(2,3)10-14)12-7-5-4-6-8-12/h4-8,11H,9H2,1-3H3

InChIKey

GWCCFAFCQHECBM-UHFFFAOYSA-N

Smiles

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