CAS 135-23-9|CAS 91-80-5|Methapyrilene HCL|N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine hydrochloride|Methacon|Teralin|Thionylan|Sleepwell|Capathyn|Rest-on|Thenylene|methapyrile...

基本信息

化学结构

分子式

C₁₄H₂₀ClN₃S

分子量

297.8467

精确质量

297.10664634

电荷

InChI

InChI=1S/C14H19N3S.ClH/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14;/h3-8,11H,9-10,12H2,1-2H3;1H

InChIKey

BONORRGKLJBGRV-UHFFFAOYSA-N

Canonic Smiles

CN(CCN(c1ccccn1)Cc1cccs1)C.Cl

Isomeric Smiles

Cl.s1c(CN(CCN(C)C)c2ncccc2)ccc1

计算属性

JChem

LogD (pH = 7.4)

1.73

LogD (pH = 5.5)

-0.15

Log P

3.11

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

8.76

极化表面积

19.37

极化性

29.40

摩尔折射率

78.16

LOG S

-2.42

数据来源

名称和标识

别名

Methapyrilene HCLN,N-Dimethyl-N'-pyrid-2-yl-N'-2-thenylethylenediamineMethoxyleneMethapyrileneMethapyrilineMethapyrilene hydrochlorideMethypyrilene hydrochloride2-[[2-(Dimethylamino)ethyl]-2-thenylamino]pyridineMETHAPYRILENE HYDROCHLORIDEN,N-Dimethyl-N′-(2-pyridinyl)-N′-(2-thienylmethyl)-1,2-ethanediamine hydrochlorideMethapyrilene hydrochlorideMethapyrilene HCl盐酸美沙吡林Blue LineCoryzolTem-HistineHistadylPyrathynBarhistSomnicapsLullaminHistafedThenylpyramine HydrochlorideMethaconTeralinN,N-Dimethyl-N'-2-pyridinyl-N'-(2-thienylmethyl)-1,2-ethanediamine MonoHydrochlorideCohistineN1,N1-Dimethyl-N2-2-pyridinyl-N2-(2-thienylmethyl)-1,2-ethanediamine HydrochlorideCapathynThenylene HydrochlorideThenylene hydrochlorideThenylpyramine hydrochloride2-((2-(Dimethylamino)ethyl)-2-thenylamino)pyridine monohydrochloridemethypyrilene hydrochloridemethapyrilene hydrochlorideMethoxylene

IUPAC标准名

N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine hydrochloride N-[2-(dimethylamino)ethyl]-N-[(thiophen-2-yl)methyl]pyridin-2-amine hydrochloride

商标名

MethaconTeralinThionylanSleepwellCapathynRest-onThenyleneBarhistDorminHistafedDozarSomnicapsTem-histineParadormaleneBlue lineHistadylLulaminTenalinPyrathynMethaphenilenePyrinistolPyrinistabSemikonThenylpyramineCoryzolMetapyrileneRestrylLullamin

IUPAC传统名

methapyrilene hydrochloride rest-on hydrochloride blue line

名称和标识

数据登录号

CAS号

EC号

MDL号

PubChem CID