(Z)-3-(5-Chloro-2-(2-piperidinoethoxy)phenoxy)-4-phenyl-3-buten-2-one hydrochloride hydrate

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Names

[ CAS No. ]:
106064-13-5

[ Name ]:
(Z)-3-(5-Chloro-2-(2-piperidinoethoxy)phenoxy)-4-phenyl-3-buten-2-one hydrochloride hydrate

Chemical & Physical Properties

[ Boiling Point ]:
568.2ºC at 760mmHg

[ Molecular Formula ]:
C23H27Cl2NO3

[ Molecular Weight ]:
436.37100

[ Flash Point ]:
297.4ºC

[ Exact Mass ]:
435.13700

[ PSA ]:
38.77000

[ LogP ]:
5.95350

[ Vapour Pressure ]:
6.32E-13mmHg at 25°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EM9870000
CHEMICAL NAME :
3-Buten-2-one, 3-(5-chloro-2-(2-piperidinoethoxy)phenoxy)-4-phenyl-, hydrochloride, hydrate, (Z)-
CAS REGISTRY NUMBER :
106064-13-5
LAST UPDATED :
198712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C23-H26-Cl-N-O3.Cl-H.H2-O
MOLECULAR WEIGHT :
454.43

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 :
185 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: 30,773,1987

Related Compounds

  • 1-[4-(Aminomethyl)piperidin-1-yl]-2-(pyridin-3-yl)ethan-1-one
  • 4,7-Dichloro-6-nitro-2-benzothiazolamine
  • 2-(1-((5-Chloro-1,2,3-thiadiazol-4-yl)methyl)piperidin-4-yl)acetamide
  • 4-Methyl-3-(pyridin-2-YL)aniline
  • 3-(4-Bromophenyl)-4,7-dihydroxychromen-2-one
  • 7-Chloro-4-hydroxy-3-(3-methoxyphenyl)-1,5-naphthyridin-2(1H)-one
  • 2-[(1E)-2-{[(tert-butyldimethylsilyl)oxy]methyl}cyclopentylidene]-2-fluoroethan-1-ol
  • 1-ethyl-3-((3-fluorophenyl)(4-(pyridin-2-yl)piperazin-1-yl)methyl)-4-hydroxy-6-methylpyridin-2(1H)-one
  • 1-ethyl-4-hydroxy-6-methyl-3-((4-methylpiperazin-1-yl)(4-(methylthio)phenyl)methyl)pyridin-2(1H)-one
  • 3-((4-benzylpiperidin-1-yl)(pyridin-4-yl)methyl)-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2(1H)-one
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