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

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  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
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  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide