1H-Purine-2,6-dione,3,7-dihydro-3,7-dimethyl-1-(2-methyl-2-propen-1-yl)-

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Names

[ CAS No. ]:
63906-62-7

[ Name ]:
1H-Purine-2,6-dione,3,7-dihydro-3,7-dimethyl-1-(2-methyl-2-propen-1-yl)-

Chemical & Physical Properties

[ Density]:
1.29g/cm3

[ Boiling Point ]:
437.9ºC at 760 mmHg

[ Molecular Formula ]:
C11H14N4O2

[ Molecular Weight ]:
234.25400

[ Flash Point ]:
218.7ºC

[ Exact Mass ]:
234.11200

[ PSA ]:
61.82000

[ LogP ]:
0.00980

[ Index of Refraction ]:
1.625

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH2470000
CHEMICAL NAME :
Theobromine, 1-(2'-methylallyl)-
CAS REGISTRY NUMBER :
63906-62-7
LAST UPDATED :
199009
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H14-N4-O2
MOLECULAR WEIGHT :
234.29
WISWESSER LINE NOTATION :
T56 BN DN FNVNVJ B1 F1 H1UY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
254 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 86,113,1946

Related Compounds

  • N-((6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)methyl)-4-(thiophen-2-yl)thiazole-2-carboxamide
  • N-((6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)methyl)-2,3-dihydrobenzo[b][1,4]dioxine-5-carboxamide
  • N-((6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)methyl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxamide
  • 1-((6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)methyl)-3-(5-methylthiazol-2-yl)urea
  • 1-((6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)methyl)-3-phenethylurea
  • 1-(4-butoxyphenyl)-3-((6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)methyl)urea
  • 1-cyclohexyl-3-((6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)methyl)urea
  • N-((6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)methyl)pyridine-3-sulfonamide
  • 4-fluoro-3-methyl-N-((6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)methyl)benzenesulfonamide
  • N-((6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)methyl)-3-(trifluoromethyl)benzenesulfonamide
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