N-(4-{1-[(dimethylsilyl)oxy]-2,2-dimethylpropyl}pyridin-2-yl)-2,2-dimethylpropanamide

• ChemBase编号: 800430
• 分子式: C17H30N2O2Si
• 平均质量: 322.5178
• 单一同位素质量: 322.20765474
• SMILES: C(=O)(C(C)(C)C)Nc1nccc(c1)C(O[SiH](C)C)C(C)(C)C
• Canonical SMILES: C[SiH](OC(C(C)(C)C)c1ccnc(c1)NC(=O)C(C)(C)C)C
• InChI: InChI=1S/C17H30N2O2Si/c1-16(2,3)14(21-22(7)8)12-9-10-18-13(11-12)19-15(20)17(4,5)6/h9-11,14,22H,1-8H3,(H,18,19,20)
• InChIKey: RNSBPZNVCXOHOE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(4-{1-[(dimethylsilyl)oxy]-2,2-dimethylpropyl}pyridin-2-yl)-2,2-dimethylpropanamide
• IUPAC传统名: N-(4-{1-[(dimethylsilyl)oxy]-2,2-dimethylpropyl}pyridin-2-yl)-2,2-dimethylpropanamide
• 别名: N-[4-(tert-Butyl-dimethyl-silanyloxymethyl)-pyridin-2-yl]-2,2-dimethyl-propionamide

登记号

• CAS号: 618107-92-9

理论计算性质

• Acid pKa: 11.967219
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 4.086382
• LogD (pH = 7.4): 4.0972476
• Log P: 4.0974
• 摩尔折射率: 88.5542 cm^3
• 极化性: 36.344395 Å^3
• 极化表面积: 51.22 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 97%; 98%