CAS 2156-29-8|2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1-methylpyridin-1-ium iodide|2-[4-(二甲氨基)苯乙烯基]-1-甲基吡啶碘|2-Di-1-ASP|2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1-methylpyridin-1-iu...

基本信息

化学结构

分子式

C₁₆H₁₉IN₂

分子量

366.23993

精确质量

366.05929662

电荷

InChI

InChI=1S/C16H19N2.HI/c1-17(2)15-10-7-14(8-11-15)9-12-16-6-4-5-13-18(16)3;/h4-13H,1-3H3;1H/q+1;/p-1

InChIKey

XPOIQAIBZGSIDD-UHFFFAOYSA-M

Canonic Smiles

C[n+]1ccccc1/C=C/c1ccc(cc1)N(C)C.[I-]

Isomeric Smiles

C[n+]1ccccc1/C=C/c1ccc(cc1)N(C)C.[I-]

计算属性

JChem

LogD (pH = 7.4)

-0.97

LogD (pH = 5.5)

-1.04

Log P

-0.97

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

Acid pKa

4.71

极化表面积

7.12

极化性

29.04

摩尔折射率

79.74

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

2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1-methylpyridin-1-ium iodide 2-{2-[4-(dimethylamino)phenyl]ethenyl}-1-methylpyridin-1-ium iodide daspi

别名

2-[4-(二甲氨基)苯乙烯基]-1-甲基吡啶碘2-Di-1-ASP2-[4-(Dimethylamino)styryl]-1-methylpyridinium iodide2-Di-1-ASP2M2PM2-[p-(dimethylamino)styryl]-1-methylpyridinium iodide2-{(E)-2-[4-(dimethylamino)phenyl]vinyl}-1-methylpyridinium iodideDASPI2-(4-(dimethylamino)styryl)-1-methylpyridinium2-[4-(dimethylamino)styryl]-1-methylpyridinium iodide

IUPAC标准名

2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1-methylpyridin-1-ium iodide 2-{2-[4-(dimethylamino)phenyl]ethenyl}-1-methylpyridin-1-ium iodide 2-[(1E)-2-[4-(dimethylamino)phenyl]ethenyl]-1-methylpyridin-1-ium iodide

名称和标识

数据登录号

Beilstein号

EC号

CAS号

MDL号

PubChem SID

248569311622263902486457656464205