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

• ChemBase编号: 140777
• 分子式: C19H22BNO2
• 平均质量: 307.19448
• 单一同位素质量: 307.17435935
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1ccc(cc1)/C=N/c1ccccc1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ccc(cc1)/C=N/c1ccccc1
• InChI: InChI=1S/C19H22BNO2/c1-18(2)19(3,4)23-20(22-18)16-12-10-15(11-13-16)14-21-17-8-6-5-7-9-17/h5-14H,1-4H3
• InChIKey: QOACLCIBJOVFJC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylidene}aniline; (NE)-N-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylidene}aniline
• IUPAC传统名: N-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylidene}aniline; (NE)-N-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylidene}aniline
• 别名: N-[4-(4,4,5,5-四甲基-1,3,2-二氧杂硼烷-2-基)亚苄基]苯胺; 4-[(苯基亚氨基)甲基]苯硼酸频哪醇酯; 4-(苯基亚胺甲基) 苯硼酸频哪酯; N-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzylidene]benzenamine; 4-[(Phenylimino)methyl]phenylboronic acid pinacol ester; 4-(Phenyliminomethyl)phenylboronic acid pinacol ester; 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzanil; 4-(Phenyliminomethyl)benzeneboronic acid pinacol ester

登记号

• MDL号: MFCD09266199
• PubChem SID: 162235017
• PubChem CID: 46739048

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 6.101278
• LogD (pH = 7.4): 6.101596
• Log P: 6.1016
• 摩尔折射率: 91.0427 cm^3
• 极化性: 36.16701 Å^3
• 极化表面积: 30.82 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 96-101 °C; 96-99°C

安全信息

• TSCA收录: 否
• 保存温度: 2-8°C

产品相关信息

• 纯度: 97%
• Empirical Formula (Hill Notation): C19H22BNO2

详细说明

Sigma Aldrich - 692611

包装
1, 5 g in glass bottle