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Substance Name: NNK (carcinogen)
RN: 64091-91-4
UNII: 7S395EDO61
InChIKey: FLAQQSHRLBFIEZ-UHFFFAOYSA-N

Note

  • From tobacco smoke.

Molecular Formula

  • C10-H13-N3-O2

Molecular Weight

  • 207.232
 

Classification Codes

Classification Codes

  • Carcinogens
  • Mutation Data
  • Noxae
  • Reproductive Effect
  • Tumor Data

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 2B
  • Reasonably Anticipated to be a Carcinogen
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Names and Synonyms

Results Name

  • NNK (carcinogen)

Name of Substance

  • 4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone

Synonyms

  • 1-Butanone, 4-(methylnitrosoamino)-1-(3-pyridinyl)-
  • 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone
  • 4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone
  • 4-(N-Methyl-N-nitrosoamino)-4-(3-pyridyl)-1-butanone
  • 4-(N-Nitroso-N-methylamino)-1-(3-pyridyl)-1-butanone
  • 4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone
  • 4-(Nitrosoamino-N-methyl)-1-(3-pyridyl)-1-butanone
  • 4-(Nitrosomethylamino)-1-(3-pyridyl)-1-butanone
  • 4-Methylnitrosoamino-1-(3-pyridinyl)-1-butanone
  • 5-22-14-00731 (Beilstein Handbook Reference)
  • BRN 3548355
  • CCRIS 1150
  • HSDB 7771
  • N-Methyl-N-nitroso-4-oxo-4-(3-pyridyl)butyl amine
  • UNII-7S395EDO61

Systematic Names

  • 1-Butanone, 4-(methylnitrosoamino)-1-(3-pyridinyl)-
  • 4-(Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone
  • Ketone, 3-pyridyl 3-(N-methyl-N-nitrosamino)propyl

Superlist Names

  • 4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone
  • NNK (carcinogen)

Registry Numbers

CAS Registry Number

  • 64091-91-4

FDA UNII

  • 7S395EDO61

Other Registry Numbers

  • 121268-99-3
  • 64142-44-5
  • 64173-37-1
  • 87876-94-6
  • 96552-68-0

System Generated Number

  • 0064091914

Structure Descriptors

InChI

1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3

InChIKey

FLAQQSHRLBFIEZ-UHFFFAOYSA-N

Smiles

c1(C(CCCN(N=O)C)=O)cccnc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Cancer Letters Vol. 46, Pg. 173, 1989.