CAS 3397-62-4|6-chloro-1,3,5-triazine-2,4-diamine|2-chloro-4,6-diaminotriazine|6-Chloro-1,3,5-triazine-2,4-diamine|Atrazine-desethyl-desisopropyl|Desethyldesisopropyl Atrazine|2-Chloro-1,3,5-triazin...

基本信息

化学结构

分子式

C₃H₄ClN₅

分子量

145.55036

精确质量

145.01552283

电荷

InChI

InChI=1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)

InChIKey

FVFVNNKYKYZTJU-UHFFFAOYSA-N

Canonic Smiles

Nc1nc(N)nc(n1)Cl

Isomeric Smiles

c1(nc(nc(n1)N)N)Cl

计算属性

JChem

Acid pKa

15.264068

质子受体

质子供体

LogD (pH = 5.5)

0.4588164

LogD (pH = 7.4)

0.4639368

Log P

0.4640025

摩尔折射率

37.313

极化性

12.109321

极化表面积

90.71

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

6-chloro-1,3,5-triazine-2,4-diamine

IUPAC传统名

2-chloro-4,6-diaminotriazine

别名

6-Chloro-1,3,5-triazine-2,4-diamineAtrazine-desethyl-desisopropylDesethyldesisopropyl Atrazine2-Chloro-1,3,5-triazine-4,6-diamineDidealkylatrazineNSC 680830DeethyldeisopropylatrazineAtraModDeisopropyldeethyl Atrazine2,4-Diamino-6-chloro-s-triazine2-Chloro-4,6-bisamino-s-triazineDACT6-氯-2,4-二氨基-1,3,5-三嗪2,4-Diamino-6-chloro-1,3,5-triazine2,4-Diamino-6-chlorotriazineChloroammeline2-Chloro-4,6-bis(amino)-1,3,5-triazineNSC 79656-Chloro-2,4-diamino-1,3,5-triazine2-Chloro-4,6-diamino-1,3,5-triazine2-氯-4,6-二氨-1,3,5-三嗪Desethyl-desisopropyl-atrazine6-氯-2,4-氨基-1,3,5-三嗪去乙基-去异丙基阿特拉津溶液Atrazine-desethyl-desisopropyl solution2-氯-4,6-二氨-1,3,5-三嗪Atrazine-desethyl-desisopropyl2-氯-4,6-二氨基-1,3,5-三嗪

名称和标识

数据登录号

EC号

CAS号

Beilstein号

MDL号

PubChem SID

24862687248973912486274916100042424892607