3-Pentanol, 3-methyl-,3-carbamate
- 中文别名：依米氨酯
- 中文释义：依米氨酯
- 英文别名：3-methylpentan-3-yl carbamate;
1-ethyl-1-methylpropyl carbamate;
Carbamidsaeure-<1-methyl-1-aethyl-propylester>;
Stratran;
Emilcamato;
Emylcamat;
Statran;
3-Carbamoyloxy-3-methyl-pentan;
Restetal;
Striatran;
Emylcamate;
Striatan;
Nuncital;
Psicoplegil
- CAS No.：78-28-4
- 分子式：
C7H15NO2
- 分子量：145.19
- 精确分子量：145.11000
- PSA：52.32000
- InChI：The Key: SLWGJZPKHAXZQL-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 0.959g/cm3
- 沸点：
- 233.3ºC at 760 mmHg
- 闪点：
- 92.7ºC
- 折射率：
- 1.438
安全信息
- 密度：
- 0.959g/cm3
- 沸点：
- 233.3ºC at 760 mmHg
- 闪点：
- 92.7ºC
- 折射率：
- 1.438
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- FA9625000
- CHEMICAL NAME :
- Carbamic acid, 1-ethyl-1-methylpropyl ester
- CAS REGISTRY NUMBER :
- 78-28-4
- BEILSTEIN REFERENCE NO. :
- 1755436
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C7-H15-N-O2
- MOLECULAR WEIGHT :
- 145.23
- WISWESSER LINE NOTATION :
- ZVOX2&2&1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 430 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,413,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 760 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,413,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 550 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- QJSAAP Quarterly Journal of Studies on Alcohol. (New Brunswick, NJ) V.1-28, 1940-67. For publisher information, see QJSOAX. Volume(issue)/page/year: 21,223,1960
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:1
3.氢键受体数量:2
4.可旋转化学键数量:4
5.互变异构体数量:2
6.拓扑分子极性表面积:52.3
7.重原子数量:10
8.表面电荷:0
9.复杂度:119
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
