1,4-Dihydro-1-(4-aminophenyl)-4-(1-methylethyl)-3(2H)-isoquinolinone

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Names

[ CAS No. ]:
40119-27-5

[ Name ]:
1,4-Dihydro-1-(4-aminophenyl)-4-(1-methylethyl)-3(2H)-isoquinolinone

[Synonym ]:
1-(4'-aminophenyl)-1,4-dihydro-4-isopropyl-3(2H)-isoquinolinone
3(2H)-Isoquinolinone,1,4-dihydro-1-(4-aminophenyl)-4-(1-methylethyl)
1-(4-amino-phenyl)-4-isopropyl-1,4-dihydro-2H-isoquinolin-3-one
1,4-Dihydro-1-(4-aminophenyl)-4-(1-methylethyl)-3(2H)-isoquinolinone

Chemical & Physical Properties

[ Density]:
1.133g/cm3

[ Boiling Point ]:
515.8ºC at 760 mmHg

[ Molecular Formula ]:
C18H20N2O

[ Molecular Weight ]:
280.36400

[ Flash Point ]:
265.7ºC

[ Exact Mass ]:
280.15800

[ PSA ]:
55.12000

[ LogP ]:
4.13760

[ Index of Refraction ]:
1.598

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NX6036585
CHEMICAL NAME :
3(2H)-Isoquinolinone, 1,4-dihydro-1-(4-aminophenyl)-4-(1-methylethyl)-
CAS REGISTRY NUMBER :
40119-27-5
BEILSTEIN REFERENCE NO. :
0420003
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C18-H20-N2-O
MOLECULAR WEIGHT :
280.40

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1600 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: 20,1384,1977

Related Compounds

  • {3-[4-(pyridin-4-yl)piperazin-1-yl]phenyl}methyl N-carbamimidoylcarbamate trihydrochloride
  • Mal-beta-Ala-PEG(4)-Val-Ala-PAB-PNP
  • 2-Fluoro-N-methoxy-N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
  • 3,5-Diethylpyridin-4-amine;hydrochloride
  • 4,4,4-Trifluoro-3-(trifluoromethyl)butanimidamide;hydrochloride
  • 2-Methylsulfonyl-6-azaspiro[3.4]octane;hydrochloride
  • 1-[(1R,2R)-2-Aminocyclopropyl]ethanol;hydrochloride
  • 2-Propan-2-yl-1-(pyrrolidin-2-ylmethyl)imidazole;dihydrochloride
  • 4-Tert-butyl 1-methyl 2-propylsuccinate
  • N-[(1-Cyclopropyl-2-ethylbenzimidazol-5-yl)methyl]but-2-ynamide
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