3-Pyridinecarboxylicacid, 2-[(3,5-dichlorophenyl)amino]-, 3-(dimethylamino)propyl ester,hydrochloride (1:1)
- 中文别名：苯,1-乙基-4-异氰基- (9CI)
- 中文释义：苯,1-乙基-4-异氰基- (9CI);3-(dimethylamino)propyl 2-(3,5-dichloroanilino)pyridine-3-carboxylate,hydrochloride
- 英文别名：3-(dimethylamino)propyl 2-(3,5-dichloroanilino)pyridine-3-carboxylate,hydrochloride;
3-Pyridinecarboxylic acid,2-((3,5-dichlorophenyl)amino)-,3-(dimethylamino)propyl ester,monohydrochloride;
3-(dimethylamino)propyl 2-(3,5-dichloroanilino)pyridine-3-carboxylate hydrochloride;
2-((3,5-Dichlorophenyl)amino)-3-pyridinecarboxylic acid 3-(dimethylamino)propyl ester HCl
- CAS No.：75449-64-8
- 分子式：C17H19Cl2N3O2.ClH
- 分子量：0
- 精确分子量：403.06200
- PSA：54.46000
- 分子结构式：
物化性质
- 沸点：
- 459.8ºC at 760 mmHg
- 闪点：
- 231.9ºC
安全信息
- 沸点：
- 459.8ºC at 760 mmHg
- 闪点：
- 231.9ºC
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- US5649000
- CHEMICAL NAME :
- 3-Pyridinecarboxylic acid, 2-((3,5-dichlorophenyl)amino)-, 3-(dimethylamino)propyl ester, monohydrochloride
- CAS REGISTRY NUMBER :
- 75449-64-8
- LAST UPDATED :
- 198804
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C17-H19-Cl2-N3-O2.Cl-H
- MOLECULAR WEIGHT :
- 404.75
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 600 mg/kg
- TOXIC EFFECTS :
- Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Behavioral - changes in motor activity (specific assay)
- REFERENCE :
- APPHAX Acta Poloniae Pharmaceutica. For English translation, see APPFAR. (Ars Polona, POB 1001, 00-680 Warsaw 1, Poland) V.1- 1937- Volume(issue)/page/year: 36,657,1979
分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值（XlogP）:无
2.氢键供体数量:2
3.氢键受体数量:5
4.可旋转化学键数量:8
5.互变异构体数量:4
6.拓扑分子极性表面积:54.5
7.重原子数量:25
8.表面电荷:0
9.复杂度:388
10.同位素原子数量:0
11.确定原子立构中心数量:0
12.不确定原子立构中心数量:0
13.确定化学键立构中心数量:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:2
