1-Pyrrolidinepropanol, a-cyclohexyl-a-phenyl-
- 中文别名：环苯咯丙醇
- 中文释义：环苯咯丙醇;丙环定
- 英文别名：procyclidine;
Kemadrine;
Arpicolin;
Procyklidin;
Spamol;
1-cyclohexyl-1-phenyl-3-pyrrolidin-1-yl-propan-1-ol;
1-Cyclohexyl-3-pyrrolidino-1-phenyl-propan-1-ol;
Lergine;
Elorine;
1-cyclohexyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol;
Triciclidina;
tricyclamol;
Osnervan;
1-Cyclohexyl-1-phenyl-3-pyrrolidino-propan-1-ol
- CAS No.：77-37-2
- 分子式：
C19H29NO
- 分子量：287.40
- 精确分子量：287.22500
- PSA：23.47000
- InChI：The Key: WYDUSKDSKCASEF-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.057 g/cm3
- 沸点：
- 433.5ºC at 760 mmHg
- 闪点：
- 205.7ºC
- 折射率：
- 1.554
安全信息
- 密度：
- 1.057 g/cm3
- 沸点：
- 433.5ºC at 760 mmHg
- 闪点：
- 205.7ºC
- 折射率：
- 1.554
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UY1925000
- CHEMICAL NAME :
- 1-Pyrrolidinepropanol, alpha-cyclohexyl-alpha-phenyl-
- CAS REGISTRY NUMBER :
- 77-37-2
- BEILSTEIN REFERENCE NO. :
- 0088563
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C19-H29-N-O
- MOLECULAR WEIGHT :
- 287.49
- WISWESSER LINE NOTATION :
- T5NTJ A2XQR&- AL6TJ
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 :
- 131 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: -,291,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 60 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: -,291,1972
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:5
5.互变异构体数量:无
6.拓扑分子极性表面积:23.5
7.重原子数量:21
8.表面电荷:0
9.复杂度:301
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:1
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
