2-(4-methoxyphenyl)-2-(morpholin-4-yl)ethan-1-amine dihydrochloride

• ChemBase编号: 76191
• 分子式: C13H22Cl2N2O2
• 平均质量: 309.23198
• 单一同位素质量: 308.10583331
• SMILES: N1(C(c2ccc(cc2)OC)CN)CCOCC1.Cl.Cl
• Canonical SMILES: NCC(c1ccc(cc1)OC)N1CCOCC1.Cl.Cl
• InChI: InChI=1S/C13H20N2O2.2ClH/c1-16-12-4-2-11(3-5-12)13(10-14)15-6-8-17-9-7-15;;/h2-5,13H,6-10,14H2,1H3;2*1H
• InChIKey: WPVKYGDKEXSIQL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(4-methoxyphenyl)-2-(morpholin-4-yl)ethan-1-amine dihydrochloride
• IUPAC传统名: 2-(4-methoxyphenyl)-2-(morpholin-4-yl)ethanamine dihydrochloride
• 别名: 2-(4-methoxyphenyl)-2-morpholin-4-ylethylamine dihydrochloride

登记号

• MDL号: MFCD03840186
• PubChem SID: 162041099
• PubChem CID: 17998875

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -2.1454191
• LogD (pH = 7.4): -0.76821417
• Log P: 0.80125415
• 摩尔折射率: 67.7584 cm^3
• 极化性: 26.907635 Å^3
• 极化表面积: 47.72 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true