1-Allyl-3-butyl-8-methylxanthine

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Names

[ CAS No. ]:
81250-14-8

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

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

Chemical & Physical Properties

[ Density]:
1.197g/cm3

[ Boiling Point ]:
487.9ºC at 760 mmHg

[ Molecular Formula ]:
C₁₃H₁₈N₄O₂

[ Molecular Weight ]:
262.30800

[ Flash Point ]:
248.9ºC

[ Exact Mass ]:
262.14300

[ PSA ]:
72.68000

[ LogP ]:
1.18080

[ Index of Refraction ]:
1.56

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UO8412777

CHEMICAL NAME :: 1H-Purine-2,6-dione, 3,7-dihydro-3-butyl-8-methyl-1-(2-propenyl)-

CAS REGISTRY NUMBER :: 81250-14-8

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 :: 24 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 :: 62 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

Synthetic Route

Click to get detail synthetic route

Related Compounds

1-Allyl-3-isobutyl-8-methylxanthine
1-Propyl-3-butyl-8-methylxanthine
1-Allyl-3-butyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide
N-[4-(1-Allyl-3-butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl)phenyl]acetamide
Urea,1-allyl-3-(8-hydroxy-2-methyl-4-oxo-3(4H)-quinazolinyl)-2-thio- (6CI)
1-Allyl-3,7-dimethyl-8-p-sulfophenylxanthine Sodium Salt
N-(benzo[d]thiazol-6-yl)-3-methoxy-2-naphthamide
1-ethyl-3-(6-methoxy-1,3-benzothiazol-2-yl)urea
(4-Chloro-phenyl)-(6-methyl-pyrimidin-4-yl)-amine
N-((1r,3r,5r,7r)-adamantan-2-yl)-2-((2-hydroxyethyl)(methyl)amino)acetamide hydrochloride
1-(4-fluorophenyl)-2,6-dimethyl-pyridin-4-one
4-Cyano-N-(5,6-dimethyl-1,3-benzothiazol-2-YL)-N-[3-(dimethylamino)propyl]benzamide hydrochloride
[cis-3-(Aminomethyl)cyclopentyl]methanol
2-(1H-benzimidazol-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine;hydrobromide
2-(2-Chlorophenyl)piperidine
L-Cis-3,4-MPDC

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