3,7-二氨基二苯并噻吩二磺化5,5-二氧化二钠
- 中文名称:
- 3,7-二氨基二苯并噻吩二磺化5,5-二氧化二钠
- 中文别名:
- 3,7-二氨基二苯并噻吩二磺化5,5-二氧化二钠;
1,2-dimethylquinolin-1-ium-8-ol,N-propylcarbamate,iodide
- 英文名称:
- Quinolinium,1,2-dimethyl-8-[[(propylamino)carbonyl]oxy]-, iodide (1:1)
- 英文别名:
- 1,2-dimethylquinolin-1-ium-8-ol,N-propylcarbamate,iodide;
Quinolinium,1,2-dimethyl-8-[[(propylamino)carbonyl]oxy]-,iodide (1:1);
Quinolinium,1,2-dimethyl-8-[[(propylamino)carbonyl]oxy]-,iodide (9CI);
8-HYDROXY-1-METHYL-QUINALDINIUM IODIDE PROPYLCARBAMATE;
N-Methyl-8-chinaldinium-N'-n-propylcarbamat-iodid
- CAS No.:
- 71350-01-1
- 分 子 式:
-
C15H19N2O2.I
- 分 子 量:
- 0
- 精确分子量:
- 386.04900
- PSA:
- 48.53000
- InChI:
- The Key: UFQONYJMCBVGEK-UHFFFAOYSA-N3
- 分子结构式:
-
- SDS:
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3,7-二氨基二苯并噻吩二磺化5,5-二氧化二钠 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- VA0743500
- CHEMICAL NAME :
- Quinaldinium, 8-hydroxy-1-methyl-, iodide,
propylcarbamate
- CAS REGISTRY NUMBER :
- 71350-01-1
- LAST UPDATED :
- 199012
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C15-H19-N2-O2.I
- MOLECULAR WEIGHT :
- 386.26
- WISWESSER LINE NOTATION :
- T66 BKJ B1 C1 JOVM3 &I
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 :
- 77 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18,
Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year:
34,142,1979
3,7-二氨基二苯并噻吩二磺化5,5-二氧化二钠 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:3
3.氢键受体数量:5
4.可旋转化学键数量:2
5.互变异构体数量:6
6.拓扑分子极性表面积:100
7.重原子数量:34
8.表面电荷:0
9.复杂度:240
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:4