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Substance Name: 4-(Methylnitrosamino)-4-(3-pyridyl)butanal
RN: 64091-90-3
UNII: 921VK962LT
InChIKey: FRJHUNPWTKLYGL-UHFFFAOYSA-N

Molecular Formula

  • C10-H13-N3-O2

Molecular Weight

  • 207.232
 

Classification Codes

Classification Codes

  • Mutation Data
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms

Name of Substance

  • 4-(Methylnitrosamino)-4-(3-pyridyl)butanal
  • 4-(N-Methyl-M-nitrosamino)-4-(3-pyridyl)butanal

Synonyms

  • 3-Pyridinebutanal, gamma-(methylnitrosoamino)-
  • 4-(N-Methyl-N-nitrosamino)-4-(3-pyridyl)butanal
  • 4-(N-Nitroso-N-methylamino)-4-(3-pyridyl)butanal
  • 5-22-14-00731 (Beilstein Handbook Reference)
  • BRN 0396208
  • gamma-(Methylnitrosamino)-3-pyridinebutyraldehyde
  • NNA
  • UNII-921VK962LT

Systematic Name

  • Butanal, 4-(N-methyl-N-nitrosamino)-4-(3-pyridyl)-

Superlist Name

  • 4-(N-Nitrosomethylamino)-4-(3-pyridyl)-1-butanal

Registry Numbers

CAS Registry Number

  • 64091-90-3

FDA UNII

  • 921VK962LT

System Generated Number

  • 0064091903

Structure Descriptors

InChI

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

InChIKey

FRJHUNPWTKLYGL-UHFFFAOYSA-N

Smiles

c1([C@@H](CCC=O)N(N=O)C)cccnc1