| Weight | 163.22 g/mol |
|---|---|
| Formula | C10H13NO |
| Hydrogen Acceptors | 2 |
| Hydrogen Donors | 0 |
| Aromatic Rings | 1 |
| Rotatable Bonds | 3 |
3-Methyl-1-(3-pyridyl)-1-butanone (82465-52-9)
3-methyl-1-(3-pyridinyl)-1-butanone · 82465-52-9
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Most-cited Publications
- Comparative Carcinogenicity in F344 Rats of the Tobacco-specific Nitrosamines, N-Nitrosonornicotine and 4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone (Cancer Research, 1980)
- Preferential effects of nicotine and 4-(N-methyl- N-nitrosamino)-1-(3-pyridyl)-1-butanone on mitochondrial glutathione S-transferase a4-4 induction and increased oxidative stress in the rat brain (Biochemical Pharmacology, 1998)
- Accumulation and Persistence of DNA Adducts in Respiratory Tissue of Rats following Multiple Administrations of the Tobacco Specific Carcinogen 4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone (Cancer Research, 1986)
- Metabolism in the F344 Rat of 4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone, a Tobacco-specific Carcinogen (Cancer Research, 1980)
- Effects of -deuterium substitution on the mutagenicity of 4-(methyl-nitrosamino)-1-(3-pyridyl)-1-butanone (NNK)1 (Carcinogenesis, 1983)
- Cell Selective Alkylation of DNA in Rat Lung following Low Dose Exposure to the Tobacco Specific Carcinogen 4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone (Cancer Research, 1987)
Alternate Names
- 3-methyl-1-(3-pyridinyl)-1-butanone
- 82465-52-9
-
SMILESCC(C)CC(=O)C1=CN=CC=C1
-
InChIKeyUYDDFOUEMHGSEZ-UHFFFAOYSA-N
Estimated Properties
| Boiling Point | 243.59 C | EPA T.E.S.T. |
|---|---|---|
| Boiling Point | 244.47 C | EPI Suite |
| Density | 1 g/cm3 | EPA T.E.S.T. |
| Flash Point | 97.87 C | EPA T.E.S.T. |
| Melting Point | 45.64 C | EPI Suite |
| Water Solubility | 1544.46 mg/L | EPA T.E.S.T. |
| Water Solubility | 62577 mg/L | EPI Suite |
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