美三嗪酮
- 中文名称：
- 美三嗪酮
- 中文别名：
- 美三嗪酮;
5,6-双-(4-二甲基氨基-苯基)-2-甲基-2H-[1,2,4]噻嗪-3-酮
- 英文名称：
- Metrazifone
- 英文别名：
- 5,6-bis[4-(dimethylamino)phenyl]-2-methyl-1,2,4-triazin-3-one;
as-Triazin-3(2H)-one,5,6-bis(p-(dimethylamino)phenyl)-2-methyl;
Metrazifonum [INN-Latin];
5,6-bis-(4-dimethylamino-phenyl)-2-methyl-2H-[1,2,4]triazin-3-one;
Metrazifone;
Metrazifona;
Metrazifona [INN-Spanish];
2-Methyl-3-oxo-5,6-di(paradimethylaminophenyl) as triazine;
5,6-Bis(p-(dimethylamino)phenyl)-2-methyl-as-triazin-3(2H)-one;
ST 729
- CAS No.：
- 68289-14-5
- 分 子 式：
-
C20H23N5O
- 分 子 量：
- 0
- 精确分子量：
- 349.19000
- PSA：
- 54.26000
- InChI：
- The Key: FBZHCUQUPMUOCR-UHFFFAOYSA-N3
- SDS：
- 查看
美三嗪酮 物化性质
- 密度：
- 1.15g/cm3
- 沸点：
- 497.1ºC at 760 mmHg
- 闪点：
- 254.4ºC
- 折射率：
- 1.607
美三嗪酮 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XZ3018100
- CHEMICAL NAME :
- as-Triazin-3(2H)-one,
5,6-bis(p-(dimethylamino)phenyl)-2-methyl-
- CAS REGISTRY NUMBER :
- 68289-14-5
- BEILSTEIN REFERENCE NO. :
- 0564004
- LAST UPDATED :
- 199703
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C20-H23-N5-O
- MOLECULAR WEIGHT :
- 349.48
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- APFRAD Annales Pharmaceutiques Francaises. (SPPIF, B.P.22, F-41353 Vineuil,
France) V.1- 1943- Volume(issue)/page/year: 43,407,1985
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- APFRAD Annales Pharmaceutiques Francaises. (SPPIF, B.P.22, F-41353 Vineuil,
France) V.1- 1943- Volume(issue)/page/year: 43,407,1985
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- USXXAM United States Patent Document. (U.S. Patent Office, Box 9,
Washington, DC 20231) Volume(issue)/page/year: #4188387
美三嗪酮 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）:3.1
2.氢键供体数量:0
3.氢键受体数量:4
4.可旋转化学键数量:4
5.互变异构体数量:无
6.拓扑分子极性表面积:51.5
7.重原子数量:26
8.表面电荷:0
9.复杂度:567
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:1