dimethyl-[3-[(7-oxocyclohepta-1,3,5-trien-1-yl)azaniumyl]propyl]azanium,dichloride

Names

[ CAS No. ]:
18189-51-0

[ Name ]:
dimethyl-[3-[(7-oxocyclohepta-1,3,5-trien-1-yl)azaniumyl]propyl]azanium,dichloride

[Synonym ]:
2-((3-(Dimethylamino)propyl)amino)-2,4,6-cycloheptatrien-1-one dihydrochloride
2,4,6-Cycloheptatrien-1-one,2-((3-(dimethylamino)propyl)amino)-,dihydrochloride
2-(3-Dimethylaminopropylamino)tropone dihydrochloride
dimethyl-[3-[(7-oxocyclohepta-1,3,5-trien-1-yl)azaniumyl]propyl]azanium dichloride

Chemical & Physical Properties

[ Molecular Formula ]:
C12H20Cl2N2O

[ Molecular Weight ]:
279.20600

[ Exact Mass ]:
278.09500

[ PSA ]:
32.34000

[ LogP ]:
3.08740

[ Vapour Pressure ]:
2.71E-05mmHg at 25°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GU4058000
CHEMICAL NAME :
2,4,6-Cycloheptatrien-1-one, 2-((3-(dimethylamino)propyl)amino)-, dihydrochloride
CAS REGISTRY NUMBER :
18189-51-0
LAST UPDATED :
198202
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H18-N2-O.2Cl-H
MOLECULAR WEIGHT :
279.24
WISWESSER LINE NOTATION :
L7VJ BM3N1&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 :
160 mg/kg
TOXIC EFFECTS :
Behavioral - tremor 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

Related Compounds

  • 2-Fluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethan-1-ol
  • 4-(1-amino-3,3-difluorocyclobutyl)-N,N-dimethylaniline
  • 2-[1-(5-Bromo-3-methylfuran-2-yl)cyclopropyl]acetic acid
  • (1-{4-[(Difluoromethyl)sulfanyl]phenyl}cyclobutyl)methanol
  • 3,3-Difluoro-2-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
  • 3-(4-Chloro-3-methylphenyl)-2,2-difluoropropanoic acid
  • 2,2-Difluoro-3-(2-fluoro-4-methoxyphenyl)propanoic acid
  • 3,3-Difluoro-3-(2-methylfuran-3-yl)propan-1-ol
  • 1,1,1-Trifluoro-3-[2-(propan-2-yl)phenyl]propan-2-amine
  • (1S)-2,2,2-trifluoro-1-(3-methyl-1-benzofuran-2-yl)ethan-1-ol
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