dimethyl(2-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]oxy}ethyl)amine

• ChemBase编号: 796142
• 分子式: C15H25BN2O3
• 平均质量: 292.1816
• 单一同位素质量: 292.19582307
• SMILES: C(COc1nccc(c1)B1OC(C(O1)(C)C)(C)C)N(C)C
• Canonical SMILES: CN(CCOc1nccc(c1)B1OC(C(O1)(C)C)(C)C)C
• InChI: InChI=1S/C15H25BN2O3/c1-14(2)15(3,4)21-16(20-14)12-7-8-17-13(11-12)19-10-9-18(5)6/h7-8,11H,9-10H2,1-6H3
• InChIKey: VNJOVSVHMWPGNV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dimethyl(2-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]oxy}ethyl)amine
• IUPAC传统名: dimethyl(2-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]oxy}ethyl)amine
• 别名: N,N-DiMethyl-2-((4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)oxy)ethanaMine

登记号

• CAS号: 1346697-29-7

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): -0.012475064
• LogD (pH = 7.4): 1.7867779
• Log P: 3.0135
• 摩尔折射率: 78.352 cm^3
• 极化性: 32.675247 Å^3
• 极化表面积: 43.82 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%