2-methylprop-2-ene(15N)nitrile

• ChemBase编号: 172587
• 分子式: C4H5N
• 平均质量: 68.0826089
• 单一同位素质量: 68.03923406
• SMILES: C(=C)(C)C#[15N]
• Canonical SMILES: CC(=C)C#[15N]
• InChI: InChI=1S/C4H5N/c1-4(2)3-5/h1H2,2H3/i5+1
• InChIKey: GYCMBHHDWRMZGG-HOSYLAQJSA-N

名称和登记号

名称

• IUPAC标准名: 2-methylprop-2-ene(^1^5N)nitrile
• IUPAC传统名: 2-methylprop-2-ene(^1^5N)nitrile
• 别名: 2-Methyl-2-propenenitrile-15N; 1-Methylethenyl Cyanide-15N; 2-(Cyano-15N) -1-propene; 2-Cyanopropene-15N; 2-Methylacrylonitrile-15N; 2-Methylpropenenitrile-15N; Isobutenenitrile-15N; Isopropene Cyanide-15N; Isopropenylnitrile-15N; Methacrylnitrile-15N; Methylacrylonitrile-15N; NSC 24145-15N; α-Methacrylonitrile-15N; α-Methylacrylonitrile-15N; Methacrylonitrile-15N

登记号

• CAS号: 204523-22-8
• PubChem SID: 164228497
• PubChem CID: 71749928

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 1.1531134
• LogD (pH = 7.4): 1.1531134
• Log P: 1.1531134
• 摩尔折射率: 20.6278 cm^3
• 极化性: 7.6987753 Å^3
• 极化表面积: 23.79 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - M226017

Labelled Methacrylonitrile (M226015). This study reports the toxicity and metabolism of Methacrylonitrile (MeAN) in normal male Sprague-Dawley rats and those pre-treated with caffeine, alcohol or both. These results suggest that caffeine inhibited and alc

参考文献

• Ahmed, A., et al.: Toxicol Lett., 12, 157 (1982)
• El Hadri, L., et al.: Toxicol. Appl. Pharmacol., 205, 116 (1982)
• Farooqui, M., et al.: J. Biochem. Toxicol., 5, 109 (1982)
• Farooqui, M., et al.: Drug Metab. Dispos., 2, 156 (1982)