CAS 522-48-5|visine hydrochloride|2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole hydrochloride|TETRAHYDROZOLINE HYDROCHLORIDE|Tetrahydrozoline HCl|Tetrahydrozoline hydrochloride|Tyzi...

基本信息

化学结构

分子式

C₁₃H₁₇ClN₂

分子量

236.74048

精确质量

236.10802623

电荷

InChI

InChI=1S/C13H16N2.ClH/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13;/h1-2,4,6,12H,3,5,7-9H2,(H,14,15);1H

InChIKey

BJORNXNYWNIWEY-UHFFFAOYSA-N

Canonic Smiles

C1CN=C(N1)C1CCCc2c1cccc2.Cl

Isomeric Smiles

Cl.C1CC(C2=NCCN2)c2ccccc2C1

计算属性

JChem

LogD (pH = 7.4)

-0.02

LogD (pH = 5.5)

-0.17

Log P

2.24

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

10.17

极化表面积

24.39

极化性

22.93

摩尔折射率

61.48

LOG S

-2.52

数据来源

名称和标识

IUPAC传统名

visine hydrochloride tetrahydrozoline hydrochloride

IUPAC标准名

2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole hydrochloride

别名

TETRAHYDROZOLINE HYDROCHLORIDETetrahydrozoline HClTetrahydrozoline hydrochlorideTyzine2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole hydrochlorideVislinTyzanol hydrochlorideTizineTyzanolTinarhininVisine hydrochlorideTetryzoline hydrochlorideYxinVisineSoothe4,5-Dihydro-2-(1,2,3,4-tetrahydro-1-naphthalenyl)-1H-imidazole HydrochlorideMurine PlusTyzine hydrochloridetetrahydrozoline hydrochloridetetrahydrozoline HCltetryzoline HCltetrahydrozoline hydrochloridetetryzoline hydrochloridetetrahydrozoline monohydrochloride2-(1,2,3,4-tetrahydro-1-naphthyl)-2-imidazoline monohydrochloride2-(1,2,3,4-tetrahydro-1-naphthyl)-2-imidazoline hydrochloridetyzanol hydrochloride

API名称

Tetryzoline hydrochloride

商标名

VisineTyzineMurine PlusVasopos

名称和标识

数据登录号

EC号

208-329-3

CAS号

522-48-5

PubChem CID

10648