[(2R)-2-[(tert-butyldimethylsilyl)oxy]-2-{3-[(tert-butyldimethylsilyl)oxy]phenyl}ethyl](methyl)amine

• ChemBase编号: 162224
• 分子式: C21H41NO2Si2
• 平均质量: 395.72674
• 单一同位素质量: 395.26758262
• SMILES: c1c(cccc1[C@H](CNC)O[Si](C(C)(C)C)(C)C)O[Si](C(C)(C)C)(C)C
• Canonical SMILES: CNC[C@@H](c1cccc(c1)O[Si](C(C)(C)C)(C)C)O[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C21H41NO2Si2/c1-20(2,3)25(8,9)23-18-14-12-13-17(15-18)19(16-22-7)24-26(10,11)21(4,5)6/h12-15,19,22H,16H2,1-11H3/t19-/m0/s1
• InChIKey: CCCLWXYOVOYPST-IBGZPJMESA-N

名称和登记号

名称

• IUPAC标准名: [(2R)-2-[(tert-butyldimethylsilyl)oxy]-2-{3-[(tert-butyldimethylsilyl)oxy]phenyl}ethyl](methyl)amine
• IUPAC传统名: [(2R)-2-[(tert-butyldimethylsilyl)oxy]-2-{3-[(tert-butyldimethylsilyl)oxy]phenyl}ethyl](methyl)amine
• 别名: (R)-O,O-Bis(tert-butyldimethlsilyl) Phenylephrine

登记号

• CAS号: 1217862-07-1
• PubChem SID: 162256359
• PubChem CID: 45038365

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 2.4462662
• LogD (pH = 7.4): 4.0885324
• Log P: 5.6964
• 摩尔折射率: 106.9456 cm^3
• 极化性: 46.721874 Å^3
• 极化表面积: 30.49 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Chloroform; Dichloromethane; Ethanol; Ethyl Acetate; Methanol; Toluene
• 外观: Yellow Oil