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

Modify Date: 2025-08-20 10:38:44

1,4-Dihydro-1-(4-aminophenyl)-4-(1-methylethyl)-3(2H)-isoquinolinone Structure
1,4-Dihydro-1-(4-aminophenyl)-4-(1-methylethyl)-3(2H)-isoquinolinone structure
Common Name 1,4-Dihydro-1-(4-aminophenyl)-4-(1-methylethyl)-3(2H)-isoquinolinone
CAS Number 40119-27-5 Molecular Weight 280.36400
Density 1.133g/cm3 Boiling Point 515.8ºC at 760 mmHg
Molecular Formula C18H20N2O Melting Point N/A
MSDS N/A Flash Point 265.7ºC

 Names

Name 1-(4-aminophenyl)-4-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one
Synonym More Synonyms

 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
InChIKey VAVWHOYMACWEOI-UHFFFAOYSA-N
SMILES CC(C)C1C(=O)NC(c2ccc(N)cc2)c2ccccc21

 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

 Synonyms

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
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