(NZ)-4-methoxy-N-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylidene}aniline

• ChemBase编号: 297747
• 分子式: C20H24BNO3
• 平均质量: 337.22046
• 单一同位素质量: 337.18492403
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1ccc(cc1)/C=N\c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)/N=C\c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C20H24BNO3/c1-19(2)20(3,4)25-21(24-19)16-8-6-15(7-9-16)14-22-17-10-12-18(23-5)13-11-17/h6-14H,1-5H3/b22-14-
• InChIKey: FEZZNCDZVGVBHZ-HMAPJEAMSA-N

名称和登记号

名称

• IUPAC标准名: (NZ)-4-methoxy-N-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylidene}aniline
• IUPAC传统名: (NZ)-4-methoxy-N-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylidene}aniline
• 别名: 4-(4-甲氧基苯基亚胺甲基)苯硼酸频哪醇酯; 1-Methoxyphenyliminomethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene; 4-(4-Methoxyphenyliminomethyl)benzeneboronic acid pinacol ester

登记号

• MDL号: MFCD10567027
• PubChem SID: 180683278
• PubChem CID: 46739070

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.8480077
• LogD (pH = 7.4): 5.848889
• Log P: 5.8489
• 摩尔折射率: 97.5059 cm^3
• 极化性: 38.66079 Å^3
• 极化表面积: 40.05 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

安全信息

• TSCA收录: 否