(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-[4-(trifluoromethyl)phenyl]prop-2-enoate,hydrate
Names
[ CAS No. ]:
64048-79-9
[ Name ]:
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-[4-(trifluoromethyl)phenyl]prop-2-enoate,hydrate
[Synonym ]:
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-[4-(trifluoromethyl)phenyl]prop-2-enoate hydrate
8-methyl-8-azabicyclo[3.2.1]oct-3-yl 2-[4-(trifluoromethyl)phenyl]prop-2-enoate hydrate (4:1)
3-Tropanyl 4'-(trifluoromethyl)atropate quarterhydrate
4'-(Trifluoromethyl)atropic acid,3-tropanyl ester,quarterhydrate
ATROPIC ACID,4'-(TRIFLUOROMETHYL)-,3-TROPANYL ESTER,QUARTERHYDRATE
Chemical & Physical Properties
[ Boiling Point ]:
392.7ºC at 760 mmHg
[ Molecular Formula ]:
C72H82F12N4O9
[ Molecular Weight ]:
1375.42000
[ Flash Point ]:
191.3ºC
[ Exact Mass ]:
1374.59000
[ PSA ]:
127.39000
[ LogP ]:
15.23530
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- CK0500000
- CHEMICAL NAME :
- Atropic acid, 4'-(trifluoromethyl)-, 3-tropanyl ester, quarterhydrate
- CAS REGISTRY NUMBER :
- 64048-79-9
- LAST UPDATED :
- 199107
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C18-H20-F3-N-O2.1/4H2-O
- MOLECULAR WEIGHT :
- 343.44
- WISWESSER LINE NOTATION :
- T56 A ANTJ A1 GOVYU1&R DXFFF &QH
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 256 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 12,477,1969