2,3-dimethoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

• ChemBase编号: 32505
• 分子式: C13H20BNO4
• 平均质量: 265.1132
• 单一同位素质量: 265.14853853
• SMILES: c1(c(ncc(c1)B1OC(C(O1)(C)C)(C)C)OC)OC
• Canonical SMILES: COc1cc(cnc1OC)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C13H20BNO4/c1-12(2)13(3,4)19-14(18-12)9-7-10(16-5)11(17-6)15-8-9/h7-8H,1-6H3
• InChIKey: CJHRJDZURRUHSH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,3-dimethoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC传统名: 2,3-dimethoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• 别名: 2,3-Dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2,3-Dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

登记号

• CAS号: 1083168-92-6
• MDL号: MFCD11857651
• PubChem SID: 160995812
• PubChem CID: 45361770

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 2.7816544
• LogD (pH = 7.4): 2.7816994
• Log P: 2.7817
• 摩尔折射率: 66.7961 cm^3
• 极化性: 28.155714 Å^3
• 极化表面积: 49.81 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 97%
• Empirical Formula (Hill Notation): C13H20BNO4

详细说明

Sigma Aldrich - ADE000513

Other Notes
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