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18189-48-5

18189-48-5 structure

18189-48-5 structure

Name: 2-[(7-oxocyclohepta-1,3,5-trien-1-yl)azaniumyl]ethyl-di(propan-2-yl)azanium,dichloride
Chemical Name: 2-[(7-oxocyclohepta-1,3,5-trien-1-yl)azaniumyl]ethyl-di(propan-2-yl)azanium,dichloride
CAS Number: 18189-48-5
Molecular Formula: C₁₅H₂₆Cl₂N₂O
Molecular Weight: 321.28600
Create Date: 2017-01-06 17:36:03
Modify Date: 2024-04-03 06:12:41

Name	2-[(7-oxocyclohepta-1,3,5-trien-1-yl)azaniumyl]ethyl-di(propan-2-yl)azanium,dichloride
Synonyms	2-((2-(Diisopropylamino)ethyl)amino)tropone dihydrochloride 2-[(7-oxocyclohepta-1,3,5-trien-1-yl)azaniumyl]ethyl-di(propan-2-yl)azanium dichloride 2-((2-(Diisopropylamino)ethyl)amino)-2,4,6-cycloheptatrien-1-one dihydrochloride 2,4,6-Cycloheptatrien-1-one,2-((2-(diisopropylamino)ethyl)amino)-,dihydrochloride

Molecular Formula	C₁₅H₂₆Cl₂N₂O
Molecular Weight	321.28600
Exact Mass	320.14200
PSA	32.34000
LogP	4.25450
Vapour Pressure	4.53E-06mmHg at 25°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GU4045000

CHEMICAL NAME :: 2,4,6-Cycloheptatrien-1-one, 2-((2-(diisopropylamino)ethyl)amino)-, dihydrochloride

CAS REGISTRY NUMBER :: 18189-48-5

LAST UPDATED :: 198210

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C15-H24-N2-O.2Cl-H

MOLECULAR WEIGHT :: 321.33

WISWESSER LINE NOTATION :: L7VJ BM2NY1&1&Y1&1 &GH 2

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 :: 200 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Vascular - BP lowering not characterized in autonomic section Lungs, Thorax, or Respiration - respiratory stimulation

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: 10,1144,1967