25561-58-4

25561-58-4 structure

25561-58-4 structure

Name: (2E)-2-(4-methylpiperazin-4-ium-1-yl)imino-1-(4-phenylsulfanylphenyl)ethanone,chloride
Chemical Name: (2E)-2-(4-methylpiperazin-4-ium-1-yl)imino-1-(4-phenylsulfanylphenyl)ethanone,chloride
CAS Number: 25561-58-4
Molecular Formula: C₁₉H₂₂ClN₃OS
Molecular Weight: 375.91500
Create Date: 2016-03-19 13:02:42
Modify Date: 2024-01-19 17:09:07

Name	(2E)-2-(4-methylpiperazin-4-ium-1-yl)imino-1-(4-phenylsulfanylphenyl)ethanone,chloride

Boiling Point	508.3ºC at 760mmHg
Molecular Formula	C₁₉H₂₂ClN₃OS
Molecular Weight	375.91500
Flash Point	261.2ºC
Exact Mass	375.11700
PSA	61.21000
LogP	3.93150
Vapour Pressure	1.87E-10mmHg at 25°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AM9482000

CHEMICAL NAME :: Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-phenylthio-, hydrochloride

CAS REGISTRY NUMBER :: 25561-58-4

LAST UPDATED :: 199107

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C19-H21-N3-O-S.Cl-H

MOLECULAR WEIGHT :: 375.95

WISWESSER LINE NOTATION :: T6N DNTJ ANU1VR DSR&& D1 &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 :: 350 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: 13,157,1970