[(9-ethyl-9H-carbazol-3-yl)methyl](1-methoxypropan-2-yl)amine

• ChemBase编号: 310953
• 分子式: C19H24N2O
• 平均质量: 296.40666
• 单一同位素质量: 296.1888634
• SMILES: n1(c2c(c3c1cccc3)cc(cc2)CNC(COC)C)CC
• Canonical SMILES: COCC(NCc1ccc2c(c1)c1ccccc1n2CC)C
• InChI: InChI=1S/C19H24N2O/c1-4-21-18-8-6-5-7-16(18)17-11-15(9-10-19(17)21)12-20-14(2)13-22-3/h5-11,14,20H,4,12-13H2,1-3H3
• InChIKey: XTHWYVUJHXFKLK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(9-ethyl-9H-carbazol-3-yl)methyl](1-methoxypropan-2-yl)amine
• IUPAC传统名: [(9-ethylcarbazol-3-yl)methyl](1-methoxypropan-2-yl)amine
• 别名: N-[(9-ethyl-9H-carbazol-3-yl)methyl]-1-methoxypropan-2-amine

登记号

• CAS号: 418779-31-4
• MDL号: MFCD01454664

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.48772308
• LogD (pH = 7.4): 1.8105091
• Log P: 3.599318
• 摩尔折射率: 91.8278 cm^3
• 极化性: 38.234463 Å^3
• 极化表面积: 26.19 Å^2