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CAS 76014-82-9

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4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone

Description:
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone, commonly referred to as a nitrosamine compound, is a synthetic organic molecule known for its potential carcinogenic properties. It is characterized by the presence of a nitrosamine functional group, which is formed from the reaction of nitrous acid with secondary amines. This compound features a butanone backbone with a pyridine ring substituted with a nitroso group, contributing to its biological activity. It is typically a colorless to pale yellow liquid or solid, depending on its purity and form. The compound is soluble in organic solvents but has limited solubility in water. Due to its structural features, it can participate in various chemical reactions, including electrophilic substitutions. Its significance in toxicology and cancer research stems from its formation during the metabolism of certain substances, particularly in tobacco products. As a result, it has been studied extensively for its role in the development of cancer and other health-related issues. Proper handling and safety measures are essential when working with this compound due to its hazardous nature.
Formula:C10H13N3O3
InChI:InChI=1S/C10H13N3O3/c1-12(11-15)6-3-5-10(14)9-4-2-7-13(16)8-9/h2,4,7-8H,3,5-6H2,1H3
InChI key:InChIKey=KRRWRVSPMYAJPF-UHFFFAOYSA-N
SMILES:C(CCCN(N=O)C)(=O)C1=CN(=O)=CC=C1
Synonyms:
  • 1-Butanone, 4-(methylnitrosoamino)-1-(1-oxido-3-pyridinyl)-
  • 1-Butanone, 4-(methylnitrosoamino)-1-(3-pyridinyl)-, N-oxide
  • 4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone
  • 4-(Methylnitrosoamino)-1-(1-oxido-3-pyridinyl)-1-butanone
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  • 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone N-Oxide
    TRC
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    4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone N-Oxide

    Controlled Product
    CAS:

    Applications A metabolite of the carcinogen 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK), (M32575), a tobacco-specific nitrosamine. Carcinogenic.
    Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
    References Hecht, S.S., et al.: Cancer Res., 40, 4144 (1980), Kutzer, C., et al.: J. Chromatog. Sci., 35, 1 (1997), Zimmerman, C., et al.: Carcinogenesis, 25, 1237 (2004),

    Formula:C10H13N3O3
    Color and Shape:White To Brown
    Molecular weight:223.23

    Ref: TR-M325760

    5mg
    180.00€
    10mg
    236.00€