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乙胺眠酮
- 基本信息
- 物化性质
- 毒理性
- 结构与计算化学
- 上游产品
乙胺眠酮 基本信息
- 中文名称:
- 乙胺眠酮
- 中文别名:
- 乙胺眠酮;
依他喹酮
- 英文名称:
- Etaqualone
- 英文别名:
- etaqualone;
Athinazone;
2-Methyl-3-(2-aethylphenyl)-chinazolin-4(3H)-on;
3-(2-Ethylphenyl)-2-methylquinazolin-4(3H)-one;
3-(2-ethyl-phenyl)-2-methyl-3H-quinazolin-4-one;
Etaqualone,3-(2-ethylphenyl)-2-Methyl-quinazolin-4-one;
3-(2-Ethyl-phenyl)-2-methyl-4-oxo-3.4-dihydro-chinazolin;
2-Methyl-3-(2-ethyl-phenyl)-chinazolon-(4);
2-Methyl-3-(o-ethylphenyl)-4-quinazolone;
2-Methyl-3-(2-ethylphenyl)-4(3H)-quinazolinone;
3-Methyl-3-(o-ethylphenyl)-4(3H)-chinazolinon;
3-(o-Ethylphenyl)-2-methyl-4(3H)-quinazolinone;
Ethinazone;
Aolan
- CAS No.:
- 7432-25-9
- 分 子 式:
- C17H16N2O
- 分 子 量:
- 264.32200
- 精确分子量:
- 264.12600
- PSA:
- 34.89000
- InChI:
- InChI=1/C17H16N2O/c1-3-13-8-4-7-11-16(13)19-12(2)18-15-10-6-5-9-14(15)17(19)20/h4-11H,3H2,1-2H3
- 分子结构式:
-
- SDS:
- 查看
乙胺眠酮 物化性质
- 密度:
- 1.14g/cm3
- 熔点:
- 70-80ºC
- 沸点:
- 421.1ºC at 760 mmHg
- 闪点:
- 208.5ºC
- 折射率:
- 1.613
乙胺眠酮 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- VA3380000
- CHEMICAL NAME :
- 4(3H)-Quinazolinone, 3-(o-ethylphenyl)-2-methyl-
- CAS REGISTRY NUMBER :
- 7432-25-9
- BEILSTEIN REFERENCE NO. :
- 0887484
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C17-H16-N2-O
- MOLECULAR WEIGHT :
- 264.35
- WISWESSER LINE NOTATION :
- T66 BVN ENJ CR B2& D1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 320 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010)
Volume(issue)/page/year: NX#03782
乙胺眠酮 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):无
2.氢键供体数量:0
3.氢键受体数量:2
4.可旋转化学键数量:2
5.互变异构体数量:5
6.拓扑分子极性表面积:32.7
7.重原子数量:20
8.表面电荷:0
9.复杂度:404
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