Butyrophenone, 4-(4-azatricyclo(4.3.1.1(sup 3,8))undec-4-yl)-4'-fluoro-, hydrochloride

Modify Date: 2024-02-19 15:37:26

Butyrophenone, 4-(4-azatricyclo(4.3.1.1(sup 3,8))undec-4-yl)-4'-fluoro-, hydrochloride Structure
Butyrophenone, 4-(4-azatricyclo(4.3.1.1(sup 3,8))undec-4-yl)-4'-fluoro-, hydrochloride structure
Common Name Butyrophenone, 4-(4-azatricyclo(4.3.1.1(sup 3,8))undec-4-yl)-4'-fluoro-, hydrochloride
CAS Number 31556-12-4 Molecular Weight 351.88600
Density N/A Boiling Point 445.1ºC at 760 mmHg
Molecular Formula C20H27ClFNO Melting Point N/A
MSDS N/A Flash Point 223ºC

 Names

Name Butyrophenone, 4-(4-azatricyclo(4.3.1.1(sup 3,8))undec-4-yl)-4'-fluoro-, hydrochloride
Synonym More Synonyms

 Chemical & Physical Properties

Boiling Point 445.1ºC at 760 mmHg
Molecular Formula C20H27ClFNO
Molecular Weight 351.88600
Flash Point 223ºC
Exact Mass 351.17700
PSA 20.31000
LogP 5.03900

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EU1140000
CHEMICAL NAME :
Butyrophenone, 4-(4-azatricyclo(4.3.1.1(sup 3,8))undec-4-yl)-4'-fluoro-, hydrochloride
CAS REGISTRY NUMBER :
31556-12-4
LAST UPDATED :
199103
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C20-H26-F-N-O.Cl-H
MOLECULAR WEIGHT :
351.93
WISWESSER LINE NOTATION :
T66 B7/B-H/DJ A B- C 1B J INTJ I3VR DF &GH

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 :
>320 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: 14,411,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 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: 14,411,1971

 Synonyms

4-(3-(4-Fluorobenzoyl)propyl)-4-azahomoadamantane hydrochloride
4-(4-Azatricyclo(4.3.1.1(sup 3,8))undec-4-yl)-4'-fluorobutyrophenone hydrochloride
1-Butanone,4-(4-azatricyclo(4.3.1.13,8)undec-4-yl)-1-(4-fluorophenyl)-,hydrochloride