1-Propanone,1-(4-fluorophenyl)-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride (1:1)

Modify Date: 2023-02-14 10:47:38

1-Propanone,1-(4-fluorophenyl)-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride (1:1) Structure
1-Propanone,1-(4-fluorophenyl)-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride (1:1) structure
Common Name 1-Propanone,1-(4-fluorophenyl)-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride (1:1)
CAS Number 27922-11-8 Molecular Weight 285.78500
Density 1.07g/cm3 Boiling Point 367.6ºC at 760 mmHg
Molecular Formula C15H21ClFNO Melting Point N/A
MSDS N/A Flash Point 176.1ºC

 Names

Name 3-(azepan-1-yl)-1-(4-fluorophenyl)propan-1-one,hydrochloride
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.07g/cm3
Boiling Point 367.6ºC at 760 mmHg
Molecular Formula C15H21ClFNO
Molecular Weight 285.78500
Flash Point 176.1ºC
Exact Mass 285.13000
PSA 20.31000
LogP 4.01440
Vapour Pressure 1.35E-05mmHg at 25°C
Index of Refraction 1.514

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UH1766500
CHEMICAL NAME :
Propiophenone, 4'-fluoro-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride
CAS REGISTRY NUMBER :
27922-11-8
LAST UPDATED :
199112
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C15-H20-F-N-O.Cl-H
MOLECULAR WEIGHT :
285.82
WISWESSER LINE NOTATION :
T7NTJ A2VR DF &GH

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 :
190 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: 13,480,1970

 Synonyms

3-(azepan-1-yl)-1-(4-fluorophenyl)propan-1-one hydrochloride(1:1)
Propiophenone,4'-fluoro-3-(hexahydro-1H-azepin-1-yl)-,hydrochloride
4'-Fluoro-3-(1-hexamethyleneimino)propiophenone hydrochloride
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