CAS 910037-15-9|4-methyl-7-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2H,3H-pyrido[3,2-b][1,4]oxazine|2-(3,4-Dihydro-4-methyl-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane|3,4...

基本信息

化学结构

分子式

C₁₄H₂₁BN₂O₃

分子量

276.13914

精确质量

276.16452294

电荷

InChI

InChI=1S/C14H21BN2O3/c1-13(2)14(3,4)20-15(19-13)10-8-11-12(16-9-10)17(5)6-7-18-11/h8-9H,6-7H2,1-5H3

InChIKey

PDTRXHRSCGNYFD-UHFFFAOYSA-N

Canonic Smiles

CN1CCOc2c1ncc(c2)B1OC(C(O1)(C)C)(C)C

Isomeric Smiles

O1c2c(ncc(c2)B2OC(C(O2)(C)C)(C)C)N(C)CC1

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

3.0205693

LogD (pH = 7.4)

3.119574

Log P

3.121

摩尔折射率

72.7925

极化性

29.720543

极化表面积

43.82

可自由旋转的化学键

里宾斯基五规则

true

数据来源

产品目录

学术数据

数据来源

名称和标识

IUPAC传统名

4-methyl-7-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2H,3H-pyrido[3,2-b][1,4]oxazine

别名

2-(3,4-Dihydro-4-methyl-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane3,4-Dihydro-4-methyl-2H-pyrido[3,2-b][1,4]oxazine-7-boronic acid, pinacol ester 97%4-Methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine4-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

IUPAC标准名

4-methyl-7-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2H,3H,4H-pyrido[3,2-b][1,4]oxazine

名称和标识

数据登录号

PubChem SID

PubChem CID

CAS号

MDL号