methyl[(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]amine

• ChemBase编号: 310390
• 分子式: C12H18N2
• 平均质量: 190.28472
• 单一同位素质量: 190.14699859
• SMILES: c12N(CCCc1cc(cc2)CNC)C
• Canonical SMILES: CNCc1ccc2c(c1)CCCN2C
• InChI: InChI=1S/C12H18N2/c1-13-9-10-5-6-12-11(8-10)4-3-7-14(12)2/h5-6,8,13H,3-4,7,9H2,1-2H3
• InChIKey: OHBYUIJYWIIRTE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl[(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]amine
• IUPAC传统名: methyl[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]amine
• 别名: N-methyl-1-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine

登记号

• CAS号: 916792-22-8
• MDL号: MFCD08060948

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.1258554
• LogD (pH = 7.4): -0.24700618
• Log P: 2.1240957
• 摩尔折射率: 61.6452 cm^3
• 极化性: 23.265501 Å^3
• 极化表面积: 15.27 Å^2