N-methyl-N-(oxan-4-yl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

• ChemBase编号: 815334
• 分子式: C19H28BNO4
• 平均质量: 345.24092
• 单一同位素质量: 345.21113878
• SMILES: c1(ccc(cc1)B1OC(C(O1)(C)C)(C)C)C(=O)N(C1CCOCC1)C
• Canonical SMILES: CN(C(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C1CCOCC1
• InChI: InChI=1S/C19H28BNO4/c1-18(2)19(3,4)25-20(24-18)15-8-6-14(7-9-15)17(22)21(5)16-10-12-23-13-11-16/h6-9,16H,10-13H2,1-5H3
• InChIKey: UYCKQSPGENEGOK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-N-(oxan-4-yl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
• IUPAC传统名: N-methyl-N-(oxan-4-yl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
• 别名: N-methyl-N-(tetrahydro-2H-pyran-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

登记号

• CAS号: NONE

理论计算性质

• Log P: 2.8767
• 摩尔折射率: 93.0604 cm^3
• 极化性: 37.84459 Å^3
• 极化表面积: 48.0 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.8767
• LogD (pH = 7.4): 2.8767

分子性质

产品相关信息

• 纯度: 98%