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

• ChemBase编号: 169405
• 分子式: C11H16ClNO
• 平均质量: 213.70384
• 单一同位素质量: 213.09204182
• SMILES: c1cccc(c1)CC(N(C)C=O)C.Cl
• Canonical SMILES: O=CN(C(Cc1ccccc1)C)C.Cl
• InChI: InChI=1S/C11H15NO.ClH/c1-10(12(2)9-13)8-11-6-4-3-5-7-11;/h3-7,9-10H,8H2,1-2H3;1H
• InChIKey: JGIUGYVDMMYFOK-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• CAS号: 42932-20-7
• PubChem SID: 162263537
• PubChem CID: 71316949

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: 20.750843 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 - F700700

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)