1-Allyl-3-isobutyl-8-methylxanthine

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Names

[ CAS No. ]:
81250-17-1

[ Name ]:
1-Allyl-3-isobutyl-8-methylxanthine

[Synonym ]:
1-allyl-3-isobutyl-8-methyl xanthine

Chemical & Physical Properties

[ Density]:
1.195g/cm3

[ Boiling Point ]:
480.8ºC at 760 mmHg

[ Molecular Formula ]:
C13H18N4O2

[ Molecular Weight ]:
262.30800

[ Flash Point ]:
244.6ºC

[ Exact Mass ]:
262.14300

[ PSA ]:
72.68000

[ LogP ]:
1.03670

[ Index of Refraction ]:
1.558

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UO8438527
CHEMICAL NAME :
1H-Purine-2,6-dione, 3,7-dihydro-8-methyl-3-(2-methylpropyl)-1-(2-propenyl )-
CAS REGISTRY NUMBER :
81250-17-1
LAST UPDATED :
199806
DATA ITEMS CITED :
2

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 :
17 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: #4581451
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
49 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: #4581451

Related Compounds

  • 1-Allyl-3-butyl-8-methylxanthine
  • Urea,1-allyl-3-(8-hydroxy-2-methyl-4-oxo-3(4H)-quinazolinyl)-2-thio- (6CI)
  • 1-methyl-3-isobutyl-8-(methylamino)xanthine
  • 1-methyl-3-isobutyl-8-(2-bromoethyl)xanthine
  • 1-Allyl-3,7-dimethyl-8-p-sulfophenylxanthine Sodium Salt
  • 1-ALLYL-3,7-DIMETHYL-8-PHENYLXANTHINE
  • (Z)-1-(4-fluorobenzyl)-3-(((5-methylisoxazol-3-yl)amino)methylene)-1H-thieno[3,2-c][1,2]thiazin-4(3H)-one 2,2-dioxide
  • (Z)-1-(4-fluorobenzyl)-3-((pyridin-3-ylamino)methylene)-1H-thieno[3,2-c][1,2]thiazin-4(3H)-one 2,2-dioxide
  • Benzenesulfonamide, 3-amino-N,N-dibutyl-4-fluoro-
  • (3Z)-3-{[(5-chloro-2,4-dimethoxyphenyl)amino]methylene}-1-(4-fluorobenzyl)-1H-thieno[3,2-c][1,2]thiazin-4(3H)-one 2,2-dioxide
  • 1-[3-(2,2,2-Trifluoroethoxy)propyl]piperazine
  • (3Z)-1-(3-fluorobenzyl)-3-{[(4-methylphenyl)amino]methylene}-1H-thieno[3,2-c][1,2]thiazin-4(3H)-one 2,2-dioxide
  • (Z)-3-(((4-bromophenyl)amino)methylene)-1-(3-fluorobenzyl)-1H-thieno[3,2-c][1,2]thiazin-4(3H)-one 2,2-dioxide
  • (Z)-1-(3-fluorobenzyl)-3-(((3-(trifluoromethyl)phenyl)amino)methylene)-1H-thieno[3,2-c][1,2]thiazin-4(3H)-one 2,2-dioxide
  • (3Z)-3-{[(3-chloro-4-methoxyphenyl)amino]methylidene}-1-[(3-fluorophenyl)methyl]-1H,3H,4H-2lambda6-thieno[3,2-c][1,2]thiazine-2,2,4-trione
  • (3Z)-3-{[(3-chloro-2-methylphenyl)amino]methylene}-1-(3-fluorobenzyl)-1H-thieno[3,2-c][1,2]thiazin-4(3H)-one 2,2-dioxide
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