2,15-dimethyl-14-(6-methylheptan-2-yl)-N-phenyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-amine

• ChemBase编号: 112304
• 分子式: C33H51N
• 平均质量: 461.76474
• 单一同位素质量: 461.40215064
• SMILES: CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)Nc1ccccc1
• Canonical SMILES: CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)Nc1ccccc1)C)C
• InChI: InChI=1S/C33H51N/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-25-22-27(34-26-12-7-6-8-13-26)18-20-32(25,4)31(28)19-21-33(29,30)5/h6-8,12-14,23-24,27-31,34H,9-11,15-22H2,1-5H3
• InChIKey: QLUKVXBTMCXYMC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,15-dimethyl-14-(6-methylheptan-2-yl)-N-phenyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-amine
• IUPAC传统名: 2,15-dimethyl-14-(6-methylheptan-2-yl)-N-phenyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-amine
• 别名: CHOLESTERYL ANILINE

登记号

• CAS号: 7510-04-5
• PubChem SID: 162097231
• PubChem CID: 347370

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 9.006792
• LogD (pH = 7.4): 9.076524
• Log P: 9.07749
• 摩尔折射率: 148.607 cm^3
• 极化性: 58.159374 Å^3
• 极化表面积: 12.03 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

详细说明

MP Biomedicals - 05223434

MP Biomedicals Rare Chemical collection