N-(2H3)methyl-N-(1-phenylpropan-2-yl)formamide

• ChemBase编号: 169406
• 分子式: C11H15NO
• 平均质量: 177.2429
• 单一同位素质量: 177.11536411
• SMILES: c1cccc(c1)CC(N(C)C=O)C
• Canonical SMILES: O=CN(C(Cc1ccccc1)C)C
• InChI: InChI=1S/C11H15NO/c1-10(12(2)9-13)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
• InChIKey: GLSMSUZWTDVJMA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(^2H₃)methyl-N-(1-phenylpropan-2-yl)formamide
• IUPAC传统名: N-(^2H₃)methyl-N-(1-phenylpropan-2-yl)formamide
• 别名: N-(Methyl-d3)-N-(1-methyl-2-phenylethyl)formamide; 1-Phenyl-2-[N-(methyl-d3)-N-formylamino]propane; Formyl-N,α-dimethyl-2-phenylethylamine-d3; N-(Methyl-d3)-N-(α-methylphenylethyl)formamide; rac N-Formyl Methamphetamine-d3

登记号

• PubChem SID: 162263538
• PubChem CID: 71316950

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 1.7980738
• LogD (pH = 7.4): 1.7980745
• Log P: 1.7980745
• 摩尔折射率: 53.5552 cm^3
• 极化性: 20.750845 Å^3
• 极化表面积: 20.31 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - F700702

A labelled impurity of Methamphetamine (M258795). An impurity of Methamphetamine (M258795). Controlled substance.

参考文献

• Caldwell, J., et al.: Biochem. J., et al.: 129, 11 (1972)
• Tanaka, K., et al.: J. Forensic Sci., 39, 500 (1972)