(1R)-1-(4-{[(tert-butyldimethylsilyl)oxy]methyl}cyclohexyl)ethan-1-amine

• ChemBase编号: 163404
• 分子式: C15H33NOSi
• 平均质量: 271.51412
• 单一同位素质量: 271.23314121
• SMILES: C(C1CCC(CC1)[C@H](N)C)O[Si](C(C)(C)C)(C)C
• Canonical SMILES: C[C@H](C1CCC(CC1)CO[Si](C(C)(C)C)(C)C)N
• InChI: InChI=1S/C15H33NOSi/c1-12(16)14-9-7-13(8-10-14)11-17-18(5,6)15(2,3)4/h12-14H,7-11,16H2,1-6H3/t12-,13?,14?/m1/s1
• InChIKey: RJMNCCXUDNEXKJ-IYXRBSQSSA-N

名称和登记号

名称

• IUPAC标准名: (1R)-1-(4-{[(tert-butyldimethylsilyl)oxy]methyl}cyclohexyl)ethan-1-amine
• IUPAC传统名: (1R)-1-(4-{[(tert-butyldimethylsilyl)oxy]methyl}cyclohexyl)ethanamine
• 别名: (αR)-4-[[[(1,1-Dimethylethyl)dimethylsilyl]oxy]methyl]-α-methyl-cyclohexanemethanamine; (R)-1-[4-(tert-Butyldimethylsilyloxymethyl)cyclohexyl]ethan-1-amine

登记号

• CAS号: 672314-51-1
• PubChem SID: 162257539
• PubChem CID: 69732806

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.08624693
• LogD (pH = 7.4): 0.6112481
• Log P: 3.5183
• 摩尔折射率: 76.331 cm^3
• 极化性: 32.792213 Å^3
• 极化表面积: 35.25 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Methanol
• 外观: Off-Whtie Solid

详细说明

Toronto Research Chemicals - B691685

Intermediate in the production of Rho kinase inhibitors and neurite outgrowth promoters.

参考文献

• Gingras, K., et al.: Bioorg. Med. Chem. Lett., 14, 4931 (2004)