(E)-(furan-2-ylmethyl)({[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylidene})amine

• ChemBase编号: 297750
• 分子式: C18H22BNO3
• 平均质量: 311.18318
• 单一同位素质量: 311.16927397
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1ccc(cc1)/C=N/Cc1ccco1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ccc(cc1)/C=N/Cc1ccco1
• InChI: InChI=1S/C18H22BNO3/c1-17(2)18(3,4)23-19(22-17)15-9-7-14(8-10-15)12-20-13-16-6-5-11-21-16/h5-12H,13H2,1-4H3/b20-12+
• InChIKey: IIAOBOBJQMILAT-UDWIEESQSA-N

名称和登记号

名称

• IUPAC标准名: (E)-(furan-2-ylmethyl)({[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylidene})amine
• IUPAC传统名: (E)-(furan-2-ylmethyl)({[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylidene})amine
• 别名: 4-(糠基亚胺甲基)苯硼酸频哪醇酯; 1-[(2-Furylmethyl)iminomethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene; 4-(Furfuryliminomethyl)benzeneboronic acid pinacol ester

登记号

• MDL号: MFCD11113038
• PubChem SID: 180683281
• PubChem CID: 46739747

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 4.6562448
• LogD (pH = 7.4): 4.7180524
• Log P: 4.7189
• 摩尔折射率: 86.2544 cm^3
• 极化性: 34.854637 Å^3
• 极化表面积: 43.96 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

安全信息

• TSCA收录: 否

产品相关信息

• 纯度: 97%