2-(2-methyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-amine dihydrochloride

• ChemBase编号: 258561
• 分子式: C12H20Cl2N2
• 平均质量: 263.2066
• 单一同位素质量: 262.10035401
• SMILES: N1(c2c(CCC1C)cccc2)CCN.Cl.Cl
• Canonical SMILES: NCCN1C(C)CCc2c1cccc2.Cl.Cl
• InChI: InChI=1S/C12H18N2.2ClH/c1-10-6-7-11-4-2-3-5-12(11)14(10)9-8-13;;/h2-5,10H,6-9,13H2,1H3;2*1H
• InChIKey: WPYIZLQEUUQXFM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2-methyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-amine dihydrochloride
• IUPAC传统名: 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine dihydrochloride
• 别名: 2-(2-methyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-amine dihydrochloride

登记号

• MDL号: MFCD11811769
• PubChem SID: 164314471
• PubChem CID: 42943453

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.8133185
• LogD (pH = 7.4): 0.03517514
• Log P: 2.185338
• 摩尔折射率: 60.7658 cm^3
• 极化性: 23.270168 Å^3
• 极化表面积: 29.26 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 209 - 211°C
• 疏水性(logP): 2.744

产品相关信息

• 纯度: 95%