N-Methyl-1,4-dihydro-1,4-etheno-isoquinolin-3(2H)-one

Modify Date: 2024-01-11 18:19:58

N-Methyl-1,4-dihydro-1,4-etheno-isoquinolin-3(2H)-one Structure
N-Methyl-1,4-dihydro-1,4-etheno-isoquinolin-3(2H)-one structure
Common Name N-Methyl-1,4-dihydro-1,4-etheno-isoquinolin-3(2H)-one
CAS Number 13131-19-6 Molecular Weight 185.22200
Density 1.205g/cm3 Boiling Point 358.8ºC at 760 mmHg
Molecular Formula C12H11NO Melting Point N/A
MSDS N/A Flash Point 147.4ºC

 Names

Name 1,4-Dihydro-2-methyl-1,4-ethenoisoquinolin-3(2H)-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.205g/cm3
Boiling Point 358.8ºC at 760 mmHg
Molecular Formula C12H11NO
Molecular Weight 185.22200
Flash Point 147.4ºC
Exact Mass 185.08400
PSA 20.31000
LogP 1.79100
Vapour Pressure 2.48E-05mmHg at 25°C
Index of Refraction 1.616

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KM7576500
CHEMICAL NAME :
1,4-Ethenoisoquinolin-3(2H)-one, 1,4-dihydro-2-methyl-
CAS REGISTRY NUMBER :
13131-19-6
LAST UPDATED :
199712
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C12-H11-N-O
MOLECULAR WEIGHT :
185.24

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
806 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #3781436
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
531 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #3781436
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #3781436

 Precursor & DownStream

Precursor  1

DownStream  0

 Synonyms

N-Methyl-1,4-dihydro-1,4-etheno-isoquinolin-3(2H)-one
2-methyl-5,6-benzo-2-azabicyclo[2.2.2]oct-7-ene-3-one
2-Methyl-5,6-benzo-2-azabicyclo<2.2.2>oct-7-en-3-on
1,4-Ethenoisoquinolin-3(2H)-one,1,4-dihydro-2-methyl
2-Methyl-1,4-dihydro-1,4-etheno-isochinolin-3(2H)-on
3-Oxo-2-methyl-1,4-vinylen-1,2,3,4-tetrahydro-isochinolin
N-Methyl-9-aza-tricyclo[6.2.2.0(2,7)]dodec-2,4,6,11-tetraene-10-one
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