4-Fluorophenyl-1-methylene-2-(4-carbethoxy-4-phenylpiperidino)-ethyl k etone hydrochloride

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Names

[ CAS No. ]:
102395-64-2

[ Name ]:
4-Fluorophenyl-1-methylene-2-(4-carbethoxy-4-phenylpiperidino)-ethyl k etone hydrochloride

[Synonym ]:
4-(ethoxycarbonyl)-1-[2-(4-fluorobenzoyl)prop-2-en-1-yl]-4-phenylpiperidinium chloride
4-Fluorophenyl-1-methylene-2-(4-carbethoxy-4-phenylpiperidino)-ethyl ketone hydrochloride
1-(2-(p-Fluorobenzoyl)allyl)-4-phenylisonipecotic acid ethyl ester hydrochloride
ethyl 1-[2-(4-fluorobenzoyl)prop-2-enyl]-4-phenylpiperidin-1-ium-4-carboxylate chloride
Isonipecotic acid,1-(2-(p-fluorobenzoyl)allyl)-4-phenyl-,ethyl ester,hydrochloride

Chemical & Physical Properties

[ Boiling Point ]:
514ºC at 760mmHg

[ Molecular Formula ]:
C24H27ClFNO3

[ Molecular Weight ]:
431.92700

[ Flash Point ]:
264.7ºC

[ Exact Mass ]:
431.16600

[ PSA ]:
46.61000

[ LogP ]:
4.90140

[ Vapour Pressure ]:
1.12E-10mmHg at 25°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NS5382000
CHEMICAL NAME :
Isonipecotic acid, 1-(2-(p-fluorobenzoyl)allyl)-4-phenyl-, ethyl ester, hydrochloride
CAS REGISTRY NUMBER :
102395-64-2
LAST UPDATED :
199012
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C24-H26-F-N-O3.Cl-H
MOLECULAR WEIGHT :
431.97
WISWESSER LINE NOTATION :
T6NTJ A1YU1&VR DF& DVO2 DR &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#11085

Related Compounds

  • 6-(1,1-Dimethylethyl)-2-methoxy-3-pyridinemethanamine
  • 6-Hydroxyspiro[chromene-2,1'-cyclobutan]-4-(3H)-one
  • 6-Fluorospiro[chroman-2,1'-cyclobutan]-4-one
  • (4-Bromo-2-fluoro-6-(methylsulfonyl)phenyl)methanol
  • 4-(2,5-dimethyl-1H-pyrrol-1-yl)cyclohexan-1-amine
  • 4-(1H-pyrrol-1-yl)cyclohexan-1-amine
  • N-cyclopentyl-3-hydroxy-2,2-dimethylpropanamide
  • Spiro[cyclobutane-1,2'-thiochroman]-4'-one
  • Cycloheptyl(thiophen-2-yl)methanamine
  • Methyl 1-(2-(tert-butoxy)-2-oxoethyl)-3-cyclohexyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine-6-carboxylate
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