2-(4-pyridin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone,dihydrochloride

Modify Date: 2025-08-25 13:34:58

2-(4-pyridin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone,dihydrochloride Structure
2-(4-pyridin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone,dihydrochloride structure
 Common Name 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone,dihydrochloride
CAS Number 16785-32-3 Molecular Weight 444.35200
Density N/A Boiling Point 539.6ºC at 760mmHg
Molecular Formula C20H27Cl2N3O4 Melting Point N/A
MSDS N/A Flash Point 280.1ºC

 Names

Name 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone,dihydrochloride

 Chemical & Physical Properties

Boiling Point 539.6ºC at 760mmHg
Molecular Formula C20H27Cl2N3O4
Molecular Weight 444.35200
Flash Point 280.1ºC
Exact Mass 443.13800
PSA 64.13000
LogP 3.71920
Vapour Pressure 1.03E-11mmHg at 25°C
InChIKey KLKVUXPRXLNDEX-UHFFFAOYSA-N
SMILES COc1cc(C(=O)CN2CCN(c3ccccn3)CC2)cc(OC)c1OC.Cl.Cl

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AM9813000
CHEMICAL NAME :
Acetophenone, 2-(4-(2-pyridyl)piperazinyl)-3',4',5'-trimethoxy-, dihydrochloride
CAS REGISTRY NUMBER :
16785-32-3
LAST UPDATED :
199007
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C20-H25-N3-O4.2Cl-H
MOLECULAR WEIGHT :
444.40
WISWESSER LINE NOTATION :
T6N DNTJ A1VR CO1 DO1 EO1& D- BT6NJ &GH &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 :
800 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
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: 11,332,1968
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Chemsrc provides CAS#:16785-32-3 MSDS, density, melting point, boiling point, structure, etc. Its name is 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone,dihydrochloride>> amp version: 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone,dihydrochloride

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