9-ethyl-3-(piperazin-1-ylmethyl)-9H-carbazole

• ChemBase编号: 311259
• 分子式: C19H23N3
• 平均质量: 293.40602
• 单一同位素质量: 293.18919775
• SMILES: n1(c2c(c3c1cccc3)cc(CN1CCNCC1)cc2)CC
• Canonical SMILES: CCn1c2ccc(cc2c2c1cccc2)CN1CCNCC1
• InChI: InChI=1S/C19H23N3/c1-2-22-18-6-4-3-5-16(18)17-13-15(7-8-19(17)22)14-21-11-9-20-10-12-21/h3-8,13,20H,2,9-12,14H2,1H3
• InChIKey: FTPUWWDCTLDCJQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 9-ethyl-3-(piperazin-1-ylmethyl)-9H-carbazole
• IUPAC传统名: 9-ethyl-3-(piperazin-1-ylmethyl)carbazole
• 别名: 9-ethyl-3-(piperazin-1-ylmethyl)-9H-carbazole

登记号

• CAS号: 356082-25-2
• MDL号: MFCD02040805

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.18605372
• LogD (pH = 7.4): 1.1656348
• Log P: 3.076838
• 摩尔折射率: 92.4156 cm^3
• 极化性: 38.384495 Å^3
• 极化表面积: 20.2 Å^2