18189-49-6

18189-49-6 structure

18189-49-6 structure

Name: 2-morpholin-4-ium-4-ylethyl-(7-oxocyclohepta-1,3,5-trien-1-yl)azanium,dichloride
Chemical Name: 2-morpholin-4-ium-4-ylethyl-(7-oxocyclohepta-1,3,5-trien-1-yl)azanium,dichloride
CAS Number: 18189-49-6
Molecular Formula: C₁₃H₂₀Cl₂N₂O₂
Molecular Weight: 307.21600
Create Date: 2016-05-01 08:06:05
Modify Date: 2024-02-01 18:11:16

Name	2-morpholin-4-ium-4-ylethyl-(7-oxocyclohepta-1,3,5-trien-1-yl)azanium,dichloride
Synonyms	2-((2-Morpholinoethyl)amino)-2,4,6-cycloheptatrien-1-one dihydrochloride 2-morpholin-4-ium-4-ylethyl-(7-oxocyclohepta-1,3,5-trien-1-yl)azanium dichloride 2,4,6-CYCLOHEPTATRIEN-1-ONE,2-((2-MORPHOLINOETHYL)AMINO)-,DIHYDROCHLORIDE

Molecular Formula	C₁₃H₂₀Cl₂N₂O₂
Molecular Weight	307.21600
Exact Mass	306.09000
PSA	41.57000
LogP	2.40580
Vapour Pressure	1.58E-07mmHg at 25°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GU4610000

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

CAS REGISTRY NUMBER :: 18189-49-6

LAST UPDATED :: 198202

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C13-H18-N2-O2.2Cl-H

MOLECULAR WEIGHT :: 307.25

WISWESSER LINE NOTATION :: T6N DOTJ A2M- BL7VJ &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 :: 100 mg/kg

TOXIC EFFECTS :: Vascular - relaxation (isolated tissues) Lungs, Thorax, or Respiration - respiratory stimulation Biochemical - Metabolism (Intermediary) - effect on inflammation or mediation of inflammation

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