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

• ChemBase编号: 804496
• 分子式: C19H28BNO4
• 平均质量: 345.24092
• 单一同位素质量: 345.21113878
• SMILES: C(=O)(N1CC(OC(C1)C)C)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
• Canonical SMILES: CC1OC(C)CN(C1)C(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C19H28BNO4/c1-13-11-21(12-14(2)23-13)17(22)15-7-9-16(10-8-15)20-24-18(3,4)19(5,6)25-20/h7-10,13-14H,11-12H2,1-6H3
• InChIKey: UGNPEZDQOQYCQH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,6-dimethyl-4-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]morpholine
• IUPAC传统名: 2,6-dimethyl-4-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]morpholine
• 别名: (4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)(2,6-DIMETHYLMORPHOLINO)METHANONE

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.5281
• LogD (pH = 7.4): 3.5281
• Log P: 3.5281
• 摩尔折射率: 92.497 cm^3
• 极化性: 37.844547 Å^3
• 极化表面积: 48.0 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%