3-[Methoxy(methyl)carbamoyl]benzeneboronic acid, pinacol ester 97%|N-Methoxy-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide|N-methoxy-N-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-...

基本信息

化学结构

分子式

C₁₅H₂₂BNO₄

分子量

291.15048

精确质量

291.16418859

电荷

InChI

InChI=1S/C15H22BNO4/c1-14(2)15(3,4)21-16(20-14)12-9-7-8-11(10-12)13(18)17(5)19-6/h7-10H,1-6H3

InChIKey

ATIMPABZLDHDMN-UHFFFAOYSA-N

Canonic Smiles

CON(C(=O)c1cccc(c1)B1OC(C(O1)(C)C)(C)C)C

Isomeric Smiles

O1C(C(C)(C)OB1c1cccc(c1)C(=O)N(C)OC)(C)C

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

3.3157

LogD (pH = 7.4)

3.3157

Log P

3.3157

摩尔折射率

75.9351

极化性

31.209574

极化表面积

48.0

可自由旋转的化学键

里宾斯基五规则

true

数据来源

学术数据

产品目录

数据来源

名称和标识

别名

3-[Methoxy(methyl)carbamoyl]benzeneboronic acid, pinacol ester 97%N-Methoxy-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide3-(N-Methoxy-N-methylcarbamoyl)phenylboronic acid pinacol ester3-(N-甲氧基-N-甲基氨甲酰)苯硼酸频哪醇酯N-甲氧基-N-甲基-3-(4,4,5,5-四甲基-1,3,2-二氧杂戊硼烷-2-基)苯甲酰胺[3-(N,O-Dimethyl hydroxylaminocarbonyl)phenyl] boronic acid pinacol ester3-(N,O-二甲羟氨基甲酰基)苯硼酸频哪酯N,O-Dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzohydroxamate3-(N,O-Dimethylhydroxylaminocarbonyl)benzeneboronic acid pinacol ester

IUPAC传统名

N-methoxy-N-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

IUPAC标准名

N-methoxy-N-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

名称和标识

数据登录号

MDL号

MFCD09258775

PubChem SID

162078841

PubChem CID

44119763