dimethyl({3-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]propyl})amine

• ChemBase编号: 311255
• 分子式: C18H27N3
• 平均质量: 285.42708
• 单一同位素质量: 285.22049788
• SMILES: c12[nH]c3c(c1CCCC2NCCCN(C)C)cc(cc3)C
• Canonical SMILES: CN(CCCNC1CCCc2c1[nH]c1c2cc(cc1)C)C
• InChI: InChI=1S/C18H27N3/c1-13-8-9-16-15(12-13)14-6-4-7-17(18(14)20-16)19-10-5-11-21(2)3/h8-9,12,17,19-20H,4-7,10-11H2,1-3H3
• InChIKey: ABYBKVTTZUTOKN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dimethyl({3-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]propyl})amine
• IUPAC传统名: dimethyl({3-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]propyl})amine
• 别名: N,N-dimethyl-N'-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)propane-1,3-diamine

登记号

• CAS号: 121593-92-8
• MDL号: MFCD05863691

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -2.485562
• LogD (pH = 7.4): 0.012444063
• Log P: 3.1311762
• 摩尔折射率: 90.3775 cm^3
• 极化性: 36.222588 Å^3
• 极化表面积: 31.06 Å^2