2,3-dimethyl-5-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyrazine

• ChemBase编号: 800724
• 分子式: C13H21BN2O2
• 平均质量: 248.12904
• 单一同位素质量: 248.16960832
• SMILES: O1B(OC(C1(C)C)(C)C)Cc1cnc(c(n1)C)C
• Canonical SMILES: Cc1ncc(nc1C)CB1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C13H21BN2O2/c1-9-10(2)16-11(8-15-9)7-14-17-12(3,4)13(5,6)18-14/h8H,7H2,1-6H3
• InChIKey: OLXKKHALMLTXPK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,3-dimethyl-5-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyrazine
• IUPAC传统名: 2,3-dimethyl-5-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyrazine
• 别名: 2-(5,6-DIMETHYLPYRAZIN-2-YLMETHYL)-4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLANE

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.8529701
• LogD (pH = 7.4): 1.8529996
• Log P: 1.853
• 摩尔折射率: 64.8951 cm^3
• 极化性: 27.593843 Å^3
• 极化表面积: 44.24 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%