trimethyl({1-[tris(propan-2-yl)silyl]-1H-indol-3-yl}methyl)azanium iodide

• ChemBase编号: 307118
• 分子式: C21H37IN2Si
• 平均质量: 472.52185
• 单一同位素质量: 472.17707373
• SMILES: n1(cc(c2c1cccc2)C[N+](C)(C)C)[Si](C(C)C)(C(C)C)C(C)C.[I-]
• Canonical SMILES: CC([Si](n1cc(c2c1cccc2)C[N+](C)(C)C)(C(C)C)C(C)C)C.[I-]
• InChI: InChI=1S/C21H37N2Si.HI/c1-16(2)24(17(3)4,18(5)6)22-14-19(15-23(7,8)9)20-12-10-11-13-21(20)22;/h10-14,16-18H,15H2,1-9H3;1H/q+1;/p-1
• InChIKey: MGQUTRKXDZKUPN-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: trimethyl({1-[tris(propan-2-yl)silyl]-1H-indol-3-yl}methyl)azanium iodide
• IUPAC传统名: trimethyl({[1-(triisopropylsilyl)indol-3-yl]methyl})azanium iodide
• 别名: N,N,N-trimethyl[1-(triisopropylsilyl)-1H-indol-3-yl]methanaminium iodide

登记号

• CAS号: 620598-21-2
• MDL号: MFCD08059839

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 0.6889258
• LogD (pH = 7.4): 0.6889258
• Log P: 0.6889258
• 摩尔折射率: 116.8872 cm^3
• 极化性: 43.97775 Å^3
• 极化表面积: 4.93 Å^2