31556-12-4

31556-12-4 structure

31556-12-4 structure

Name: Butyrophenone, 4-(4-azatricyclo(4.3.1.1(sup 3,8))undec-4-yl)-4'-fluoro-, hydrochloride
Chemical Name: Butyrophenone, 4-(4-azatricyclo(4.3.1.1(sup 3,8))undec-4-yl)-4'-fluoro-, hydrochloride
CAS Number: 31556-12-4
Molecular Formula: C₂₀H₂₇ClFNO
Molecular Weight: 351.88600
Create Date: 2016-05-16 04:35:33
Modify Date: 2024-02-19 15:37:26

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

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

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