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Substance Name: 4-(Methylnitrosoamino)-4-(3-pyridyl)-1-butanol
RN: 59578-66-4
UNII: 7M56WXK8NC
InChIKey: IIDMFFRDEFHWCJ-UHFFFAOYSA-N

Note

  • Tobacco-specific N-nitrosamine.

Molecular Formula

  • C10-H15-N3-O2

Molecular Weight

  • 209.247
 

Classification Codes

  • Carcinogens
  • Mutation Data
  • Noxae
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Names and Synonyms

Name of Substance

  • 4-(Methylnitrosoamino)-4-(3-pyridyl)-1-butanol

Synonyms

  • 4-(Methylnitrosamino)-4-(3-pyridyl)-1-butanol
  • 5-22-14-00730 (Beilstein Handbook Reference)
  • BRN 0400798
  • CCRIS 6652
  • delta-(Methylnitrosoamino)-3-pyridinebutanol
  • UNII-7M56WXK8NC

Systematic Names

  • 3-Pyridinebutanol, delta-(methylnitrosoamino)-
  • 4-(Methylnitrosamino)-4-(3-pyridyl)-1-butanol

Registry Numbers

CAS Registry Number

  • 59578-66-4

FDA UNII

  • 7M56WXK8NC

System Generated Number

  • 0059578664

Structure Descriptors

InChI

1S/C10H15N3O2/c1-13(12-15)10(5-3-7-14)9-4-2-6-11-8-9/h2,4,6,8,10,14H,3,5,7H2,1H3

InChIKey

IIDMFFRDEFHWCJ-UHFFFAOYSA-N

Smiles

c1ncc(cc1)[C@@H](N(C)N=O)CCCO