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

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 3-(2-Chloro-5-fluorophenyl)morpholine
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • tert-Butyl N-(2-hydroxy-3-sulfanylpropyl)carbamate
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine