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17766-80-2

17766-80-2 structure

17766-80-2 structure

Name: 2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-4-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)ethanone,bromide
Chemical Name: 2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-4-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)ethanone,bromide
CAS Number: 17766-80-2
Molecular Formula: C₁₉H₃₁BrN₂O₆
Molecular Weight: 463.36300
Create Date: 2016-02-13 09:11:33
Modify Date: 2024-02-21 12:52:13

Name	2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-4-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)ethanone,bromide

Boiling Point	538.4ºC at 760 mmHg
Molecular Formula	C₁₉H₃₁BrN₂O₆
Molecular Weight	463.36300
Flash Point	279.4ºC
Exact Mass	462.13700
PSA	80.70000
LogP	1.35550
Vapour Pressure	2.01E-12mmHg at 25°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AM8760000

CHEMICAL NAME :: Acetophenone, 2-(4-(2-(2-hydroxyethoxy)ethyl)piperazinyl)-3',4',5'- trimethoxy-, hydrobromide

CAS REGISTRY NUMBER :: 17766-80-2

LAST UPDATED :: 199307

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C19-H30-N2-O6.Br-H

MOLECULAR WEIGHT :: 463.43

WISWESSER LINE NOTATION :: T6N DNTJ A2O2Q D1VR CO1 DO1 EO1 &EH

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 :: 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: 11,332,1968