3,7-Dihydro-8-[(3-methylcyclohexyl)oxy]-1,3,7-trimethyl-1H-purine-2,6-dione

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Names

[ CAS No. ]:
73747-36-1

[ Name ]:
3,7-Dihydro-8-[(3-methylcyclohexyl)oxy]-1,3,7-trimethyl-1H-purine-2,6-dione

[Synonym ]:
1H-Purine-2,6-dione,3,7-dihydro-1,3,7-trimethyl-8-((3-methylcyclohexyl)oxy)
8-((3-Methylcyclohexyl)oxy)caffeine
CAFFEINE,8-((3-METHYLCYCLOHEXYL)OXY)

Chemical & Physical Properties

[ Density]:
1.37g/cm3

[ Boiling Point ]:
474ºC at 760 mmHg

[ Molecular Formula ]:
C15H22N4O3

[ Molecular Weight ]:
306.36000

[ Flash Point ]:
240.5ºC

[ Exact Mass ]:
306.16900

[ PSA ]:
71.05000

[ LogP ]:
0.92820

[ Index of Refraction ]:
1.648

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EV6580000
CHEMICAL NAME :
Caffeine, 8-((3-methylcyclohexyl)oxy)-
CAS REGISTRY NUMBER :
73747-36-1
LAST UPDATED :
197903
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C15-H22-N4-O3
MOLECULAR WEIGHT :
306.41
WISWESSER LINE NOTATION :
T56 BN DN FNVNVJ B1 F1 H1 CO- AL6TJ C1

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 :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#06882

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
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (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
  • 2-Amino-9-((2R,4S,5R)-4-hydroxy-5-methyltetrahydrofuran-2-yl)-3,9-dihydro-6H-purin-6-one
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide