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Substance Name: N-(alpha-Acetoxybenzyl)-N-benzylnitrosamine
RN: 70490-99-2
UNII: 55K68F624Z
InChIKey: IMXQCEKDOLZHNU-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C16-H16-N2-O3

Molecular Weight

  • 284.313
 
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Names and Synonyms

Name of Substance

  • N-(alpha-Acetoxybenzyl)-N-benzylnitrosamine

Synonyms

  • alpha-(Benzylnitrosamino)benzyl alcohol acetate (ester)
  • alpha-Acetoxy-N-nitrosodibenzylamine
  • Benzenemethanol, alpha-(nitroso(phenylmethyl)amino)-, acetate (ester)
  • Dibenzylamine, alpha-acetoxy-N-nitroso-
  • N-alpha-Acetoxybenzyl-N-benzylnitrosamine
  • N-Benzyl-N-(alpha-acetoxybenzyl)nitrosamine
  • UNII-55K68F624Z

Systematic Names

  • Benzenemethanol, alpha-(nitroso(phenylmethyl)amino)-, acetate (ester)
  • Benzyl alcohol, alpha-(benzylnitrosamino)-, acetate (ester)

Registry Numbers

CAS Registry Number

  • 70490-99-2

FDA UNII

  • 55K68F624Z

Other Registry Number

  • 78339-34-1

System Generated Number

  • 0070490992

Structure Descriptors

InChI

1S/C16H16N2O3/c1-13(19)21-16(15-10-6-3-7-11-15)18(17-20)12-14-8-4-2-5-9-14/h2-11,16H,12H2,1H3

InChIKey

IMXQCEKDOLZHNU-UHFFFAOYSA-N

Smiles

c1([C@@H](N(Cc2ccccc2)N=O)OC(C)=O)ccccc1