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

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Names

[ CAS No. ]:
27922-11-8

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

[Synonym ]:
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

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

Related Compounds

  • (5-methyl-1-phenyl-1H-pyrazol-4-yl)(3-(4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl)azetidin-1-yl)methanone
  • 2-(2-oxo-2-(3-(4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl)azetidin-1-yl)ethyl)pyridazin-3(2H)-one
  • 5,6-dimethyl-3-(2-oxo-2-(3-(4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl)azetidin-1-yl)ethyl)pyrimidin-4(3H)-one
  • furan-3-yl(3-(4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl)azetidin-1-yl)methanone
  • (5-methylisoxazol-4-yl)(3-(4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl)azetidin-1-yl)methanone
  • 1-(3-(4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl)azetidin-1-yl)-2-(pyridin-3-yl)ethanone
  • 1-(3-(4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl)azetidin-1-yl)-2-(thiophen-3-yl)ethanone
  • (3-(4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl)azetidin-1-yl)(6-(trifluoromethyl)pyridin-3-yl)methanone
  • (3-(4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl)azetidin-1-yl)(2-phenylthiazol-4-yl)methanone
  • 1-(3-(4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl)azetidine-1-carbonyl)imidazolidin-2-one
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