环戊二烯并[c]吡咯,2-己基八氢- (6CI)
- 中文名称:
- 环戊二烯并[c]吡咯,2-己基八氢- (6CI)
- 中文别名:
- 环戊二烯并[c]吡咯,2-己基八氢- (6CI)
- 英文名称:
- [1,1'-Biphenyl]-4,4'-diethanaminium,N4,N4'-bis(1,3-dioxan-2-ylmethyl)-N4,N4,N4',N4'-tetramethyl-b4',b4-dioxo-, bromide (1:2)
- 英文别名:
- 1,3-dioxan-2-ylmethyl-[2-[4-[4-[2-[1,3-dioxan-2-ylmethyl(dimethyl)azaniumyl]acetyl]phenyl]phenyl]-2-oxoethyl]-dimethylazanium,dibromide;
1,3-dioxan-2-ylmethyl-[2-[4-[4-[2-[1,3-dioxan-2-ylmethyl(dimethyl)azaniumyl]acetyl]phenyl]phenyl]-2-oxoethyl]-dimethylazanium dibromide;
4,4'-Bis(((1,3-dioxan-2-ylmethyl)methylamino)acetyl)biphenyl dimethiobromide;
4,4'-bis<<(1,3-dioxan-2-ylmethyl)methylamino>acetyl>biphenyl dimethobromide;
1,3-Dioxane-2-methanaminium,N,N'-((1,1'-biphenyl)-4,4'-diylbis(2-oxo-2,1-ethanediyl))bis(N,N-dimethyl-,dibromide
- CAS No.:
- 123489-69-0
- 分 子 式:
-
C30H42N2O6.2Br
- 分 子 量:
- 0
- 精确分子量:
- 684.14100
- PSA:
- 71.06000
- InChI:
- The Key: IFBQKPMLQADVDP-UHFFFAOYSA-M3
- 分子结构式:
-

- SDS:
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环戊二烯并[c]吡咯,2-己基八氢- (6CI) 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- JH1925197
- CHEMICAL NAME :
- 1,3-Dioxane-2-methanaminium,
N,N'-((1,1'-biphenyl)-4,4'-diylbis(2-oxo-2,1-ethanedi
yl))bis (N,N-dimethyl-, dibromide
- CAS REGISTRY NUMBER :
- 123489-69-0
- LAST UPDATED :
- 199103
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C30-H42-N2-O6.2Br
- MOLECULAR WEIGHT :
- 686.56
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intramuscular
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 5012 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc.,
Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
20037) V.6- 1963- Volume(issue)/page/year: 33,577,1990
环戊二烯并[c]吡咯,2-己基八氢- (6CI) 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:0
3.氢键受体数量:8
4.可旋转化学键数量:11
5.互变异构体数量:3
6.拓扑分子极性表面积:71.1
7.重原子数量:40
8.表面电荷:0
9.复杂度:695
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:3
环戊二烯并[c]吡咯,2-己基八氢- (6CI) 上游产品