2,6-dimethyl-4-[6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine

• ChemBase编号: 802068
• 分子式: C17H27BN2O3
• 平均质量: 318.21888
• 单一同位素质量: 318.21147313
• SMILES: C1C(OC(CN1c1nc(ccc1)B1OC(C(O1)(C)C)(C)C)C)C
• Canonical SMILES: CC1OC(C)CN(C1)c1cccc(n1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C17H27BN2O3/c1-12-10-20(11-13(2)21-12)15-9-7-8-14(19-15)18-22-16(3,4)17(5,6)23-18/h7-9,12-13H,10-11H2,1-6H3
• InChIKey: RMQWWMMVMSNBNV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,6-dimethyl-4-[6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine
• IUPAC传统名: 2,6-dimethyl-4-[6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine
• 别名: 2,6-DIMETHYL-4-[6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL]MORPHOLINE

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 4.7313433
• LogD (pH = 7.4): 4.73367
• Log P: 4.7337
• 摩尔折射率: 86.5239 cm^3
• 极化性: 35.258434 Å^3
• 极化表面积: 43.82 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%