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

• ChemBase编号: 88150
• 分子式: C11H17BN2O2
• 平均质量: 220.07588
• 单一同位素质量: 220.13830819
• SMILES: B1(c2cnc(cn2)C)OC(C)(C)C(O1)(C)C
• Canonical SMILES: Cc1cnc(cn1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C11H17BN2O2/c1-8-6-14-9(7-13-8)12-15-10(2,3)11(4,5)16-12/h6-7H,1-5H3
• InChIKey: OCSJKXYKWMVZNJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
• IUPAC传统名: 2-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
• 别名: 2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine; 5-Methylpyrazine-2-boronic acid, pinacol ester; 5-METHYLPYRAZINE-2-BORONIC ACID PINACOL ESTER

登记号

• CAS号: 1101205-24-6
• PubChem SID: 162104543
• PubChem CID: 45785915

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.1457968
• LogD (pH = 7.4): 2.1457999
• Log P: 2.1458
• 摩尔折射率: 56.3043 cm^3
• 极化性: 23.97982 Å^3
• 极化表面积: 44.24 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Irritant/Store under Argon

产品相关信息

• 纯度: 98%