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- 4H-1-苯并吡喃-4-酮,2-苯基-3-(1H-吡咯-1-基)-(9CI)
4H-1-苯并吡喃-4-酮,2-苯基-3-(1H-吡咯-1-基)-(9CI)
4H-1-苯并吡喃-4-酮,2-苯基-3-(1H-吡咯-1-基)-(9CI) 基本信息
- 中文名称:
- 4H-1-苯并吡喃-4-酮,2-苯基-3-(1H-吡咯-1-基)-(9CI)
- 中文别名:
- 4H-1-苯并吡喃-4-酮,2-苯基-3-(1H-吡咯-1-基)-(9CI);
2,5-dimethyl-1-undecylpiperazine,dihydrochloride
- 英文名称:
- Piperazine,2,5-dimethyl-1-undecyl-, hydrochloride (1:2)
- 英文别名:
- 2,5-dimethyl-1-undecylpiperazine,dihydrochloride;
Piperazine,2,5-dimethyl-1-undecyl-,dihydrochloride;
2,5-Dimethyl-1-undecylpiperazine dihydrochloride;
(+-)-2r,5t-Dimethyl-1-undecyl-piperazin,Dihydrochlorid;
(+-)-2r,5t-dimethyl-1-undecyl-piperazine,dihydrochloride
- CAS No.:
- 108063-02-1
- 分 子 式:
- C17H36N2.2ClH
- 分 子 量:
- 0
- 精确分子量:
- 340.24100
- PSA:
- 15.27000
- InChI:
- The Key: ITMAIMNGLZIQNT-MCJVGQIASA-N
- 分子结构式:
-

- SDS:
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4H-1-苯并吡喃-4-酮,2-苯基-3-(1H-吡咯-1-基)-(9CI) 物化性质
- 沸点:
- 326.8ºC at 760mmHg
- 闪点:
- 75.7ºC
- 蒸汽压:
- 0.000211mmHg at 25°C
4H-1-苯并吡喃-4-酮,2-苯基-3-(1H-吡咯-1-基)-(9CI) 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- TL6253000
- CHEMICAL NAME :
- Piperazine, 2,5-dimethyl-1-undecyl-, dihydrochloride
- CAS REGISTRY NUMBER :
- 108063-02-1
- LAST UPDATED :
- 198806
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C17-H36-N2.2Cl-H
- MOLECULAR WEIGHT :
- 341.47
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 :
- 85 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
Behavioral - excitement
Lungs, Thorax, or Respiration - other changes
- REFERENCE :
- JAPMA8 Journal of the American Pharmaceutical Association, Scientific
Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see
JPMSAE. Volume(issue)/page/year: 46,279,1957
4H-1-苯并吡喃-4-酮,2-苯基-3-(1H-吡咯-1-基)-(9CI) 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:2
4.可旋转化学键数量:10
5.互变异构体数量:无
6.拓扑分子极性表面积:15.3
7.重原子数量:21
8.表面电荷:0
9.复杂度:205
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:2
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