N,N-diethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-amine

• ChemBase编号: 804214
• 分子式: C14H24BN3O2
• 平均质量: 277.17026
• 单一同位素质量: 277.19615742
• SMILES: CC1(C)OB(OC1(C)C)c1cnc(cn1)N(CC)CC
• Canonical SMILES: CCN(c1cnc(cn1)B1OC(C(O1)(C)C)(C)C)CC
• InChI: InChI=1S/C14H24BN3O2/c1-7-18(8-2)12-10-16-11(9-17-12)15-19-13(3,4)14(5,6)20-15/h9-10H,7-8H2,1-6H3
• InChIKey: FGMNDGMJDBAKRN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-diethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-amine
• IUPAC传统名: N,N-diethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-amine
• 别名: 5-(DIETHYLAMINO)PYRAZINE-2-BORONIC ACID PINACOL ESTER

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 3.6231904
• LogD (pH = 7.4): 3.6232
• Log P: 3.6232
• 摩尔折射率: 75.9521 cm^3
• 极化性: 30.71933 Å^3
• 极化表面积: 47.48 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%