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- 脯氨酸,4-异丙基-(6CI,7CI)
脯氨酸,4-异丙基-(6CI,7CI) 基本信息
- 中文名称：
- 脯氨酸,4-异丙基-(6CI,7CI)
- 中文别名：
- 脯氨酸,4-异丙基-(6CI,7CI)
- 英文名称：
- 2-Imidazolidinone,4,5-bis(2-propen-1-yloxy)-
- 英文别名：
- 4,5-bis(prop-2-enoxy)imidazolidin-2-one;
4,5-Bis-allyloxy-2-imidazolidinon;
2-Oxo-4.5-diallyloxy-imidazolidin;
SRC-13;
4,5-bis-allyloxy-imidazolidin-2-one;
4,5-DIPROP-2-ENOXYIMIDAZOLIDIN-2-ONE
- CAS No.：
- 90566-09-9
- 分 子 式：
- C9H14N2O3
- 分 子 量：
- 198.25
- 精确分子量：
- 198.10000
- PSA：
- 59.59000
- InChI：
- The Key: GWBFJJQNFCHKNQ-UHFFFAOYSA-N
- 安全术语：
- Moderately toxic by ingestion, subcutaneous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. See also ALLYL COMPOUNDS.
- 分子结构式：
-
- SDS：
- 查看
脯氨酸,4-异丙基-(6CI,7CI) 物化性质
- 密度：
- 1.12g/cm3
- 沸点：
- 397.8ºC at 760mmHg
- 闪点：
- 194.4ºC
- 折射率：
- 1.503
- 存储条件/存储方法：
- 库房通风低温干燥
脯氨酸,4-异丙基-(6CI,7CI) 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NJ0606000
- CHEMICAL NAME :
- 2-Imidazolidinone, 4,5-bis(allyloxy)-
- CAS REGISTRY NUMBER :
- 90566-09-9
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C9-H14-N2-O3
- MOLECULAR WEIGHT :
- 198.25
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1850 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex)
Behavioral - somnolence (general depressed activity)
- REFERENCE :
- CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA,
1255 Howard St., San Francisco, CA 94103) V.6- 1958-
Volume(issue)/page/year: 12,843,1964
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1600 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex)
Behavioral - somnolence (general depressed activity)
- REFERENCE :
- CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA,
1255 Howard St., San Francisco, CA 94103) V.6- 1958-
Volume(issue)/page/year: 12,843,1964
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1650 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex)
Behavioral - somnolence (general depressed activity)
- REFERENCE :
- CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA,
1255 Howard St., San Francisco, CA 94103) V.6- 1958-
Volume(issue)/page/year: 12,843,1964
脯氨酸,4-异丙基-(6CI,7CI) 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）:0.5
2.氢键供体数量:2
3.氢键受体数量:3
4.可旋转化学键数量:6
5.互变异构体数量:2
6.拓扑分子极性表面积:59.6
7.重原子数量:14
8.表面电荷:0
9.复杂度:208
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:1
