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

Modify Date: 2024-01-05 21:29:45

(Z)-3-(5-Chloro-2-(2-piperidinoethoxy)phenoxy)-4-phenyl-3-buten-2-one hydrochloride hydrate Structure
(Z)-3-(5-Chloro-2-(2-piperidinoethoxy)phenoxy)-4-phenyl-3-buten-2-one hydrochloride hydrate structure
Common Name (Z)-3-(5-Chloro-2-(2-piperidinoethoxy)phenoxy)-4-phenyl-3-buten-2-one hydrochloride hydrate
CAS Number 106064-13-5 Molecular Weight 436.37100
Density N/A Boiling Point 568.2ºC at 760mmHg
Molecular Formula C23H27Cl2NO3 Melting Point N/A
MSDS N/A Flash Point 297.4ºC

 Names

Name (Z)-3-[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenoxy]-4-phenylbut-3-en-2-one,chloride

 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
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