methylbis(2-phenylethyl)amine hydrochloride

• ChemBase编号: 165733
• 分子式: C17H22ClN
• 平均质量: 275.81628
• 单一同位素质量: 275.14407739
• SMILES: c1(CCN(CCc2ccccc2)C)ccccc1.Cl
• Canonical SMILES: CN(CCc1ccccc1)CCc1ccccc1.Cl
• InChI: InChI=1S/C17H21N.ClH/c1-18(14-12-16-8-4-2-5-9-16)15-13-17-10-6-3-7-11-17;/h2-11H,12-15H2,1H3;1H
• InChIKey: WCOQXFHZJHKAGO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methylbis(2-phenylethyl)amine hydrochloride
• IUPAC传统名: methylbis(2-phenylethyl)amine hydrochloride
• 别名: N-Methyl-N-(2-phenylethyl)benzeneethanamine Hydrochloride; N-Methyl-N,N-diphenethylamine Hydrochloride; N-Methyl-β,β-diphenyldiethylamine Hydrochloride; Spasman; Demelverine Hydrochloride

登记号

• CAS号: 18719-09-0
• PubChem SID: 162259866
• PubChem CID: 12598088

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 0.7851766
• LogD (pH = 7.4): 1.887089
• Log P: 4.2164383
• 摩尔折射率: 78.7233 cm^3
• 极化性: 30.623491 Å^3
• 极化表面积: 3.24 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - D230765

An antispasmodic agent.

参考文献

• Katznelson, H., et al.: J. Bacteriol., 59, 471 (1950)
• Papke, E., et al.: Pharmazie, 23, 148 (1950)