CAS 5915-41-3|2-N-tert-butyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine|N2-(tert-Butyl)-N4-ethyl-6-chloro-1,3,5-triazine-2,4-diamine|terbuthylazine|特丁津|Terbuthylazine|Terbuthylazine|特丁津溶...

基本信息

化学结构

分子式

C₉H₁₆ClN₅

分子量

229.70984

精确质量

229.10942322

电荷

InChI

InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)

InChIKey

FZXISNSWEXTPMF-UHFFFAOYSA-N

Canonic Smiles

CCNc1nc(Cl)nc(n1)NC(C)(C)C

Isomeric Smiles

n1c(nc(nc1NC(C)(C)C)Cl)NCC

计算属性

JChem

Acid pKa

14.166229

质子受体

质子供体

LogD (pH = 5.5)

2.4761474

LogD (pH = 7.4)

2.4781525

Log P

2.4781783

摩尔折射率

66.854

极化性

23.022987

极化表面积

62.73

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

IUPAC标准名

2-N-tert-butyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine

别名

N2-(tert-Butyl)-N4-ethyl-6-chloro-1,3,5-triazine-2,4-diamine特丁津TerbuthylazineTerbuthylazine特丁津溶液Terbuthylazin solutionGardoprimG 13529Terbutylethylazine6-Chloro-N-(1,1-dimethylethyl)-N'-ethyl-1,3,5-triazine-2,4-diamineGardeprim A 1862Tyllanex2-Chloro-4-(ethylamino)-6-(tert-butylamino)-s-triazine6-Chloro-N2-(1,1-dimethylethyl)-N4-ethyl-1,3,5-triazine-2,4-diamineGS 135294-Ethylamino-6-tert-butylamino-2-chloro-S-triazineTerbutazineChlorCaragardTerbutylazinetert-Butylazine

IUPAC传统名

terbuthylazine

名称和标识

数据登录号

PubChem CID

22206

PubChem SID

162072062248692352486259224899225

Beilstein号

3951137

CAS号

5915-41-3