CAS 1149-23-1|etidin|3,5-diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate|Diethyl 1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate|2,6-二甲基-1,4-二氢-3,5-吡啶二羧酸二乙酯|Diethyl 1,4-di...

基本信息

化学结构

分子式

C₁₃H₁₉NO₄

分子量

253.29426

精确质量

253.13140809

电荷

InChI

InChI=1S/C13H19NO4/c1-5-17-12(15)10-7-11(13(16)18-6-2)9(4)14-8(10)3/h14H,5-7H2,1-4H3

InChIKey

LJXTYJXBORAIHX-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)C1=C(C)NC(=C(C1)C(=O)OCC)C

Isomeric Smiles

C1(=C(CC(=C(N1)C)C(=O)OCC)C(=O)OCC)C

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

1.1683029

LogD (pH = 7.4)

1.1683029

Log P

1.1683029

摩尔折射率

69.6936

极化性

26.160912

极化表面积

64.63

可自由旋转的化学键

里宾斯基五规则

true

Acid pKa

19.642801

数据来源

名称和标识

别名

Diethyl 1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate2,6-二甲基-1,4-二氢-3,5-吡啶二羧酸二乙酯Diethyl 1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylateDiethyl 1,4-dihydro-2,6-dimethyl-3-5-pyridinedicarboxylateDiludineDiethyl 1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate1,4-Dihydro-2,6-dimethylpyridine-3,5-dicarboxylic acid diethyl ester

IUPAC标准名

3,5-diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC传统名

etidin 3,5-diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

名称和标识

数据登录号

EC号

214-561-6

MDL号

MFCD00005951

CAS号

1149-23-1