8-cyclopentyloxy-1,3,7-trimethyl-purine-2,6-dione
Names
[ CAS No. ]:
73747-33-8
[ Name ]:
8-cyclopentyloxy-1,3,7-trimethyl-purine-2,6-dione
[Synonym ]:
8-(Cyclopentyloxy)caffeine
CAFFEINE,8-(CYCLOPENTYLOXY)
1H-Purine-2,6-dione,8-(cyclopentyloxy)-3,7-dihydro-1,3,7-trimethyl
Chemical & Physical Properties
[ Density]:
1.45g/cm3
[ Boiling Point ]:
461ºC at 760 mmHg
[ Molecular Formula ]:
C13H18N4O3
[ Molecular Weight ]:
278.30700
[ Flash Point ]:
232.6ºC
[ Exact Mass ]:
278.13800
[ PSA ]:
71.05000
[ LogP ]:
0.29210
[ Index of Refraction ]:
1.676
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- EV6498000
- CHEMICAL NAME :
- Caffeine, 8-(cyclopentyloxy)-
- CAS REGISTRY NUMBER :
- 73747-33-8
- LAST UPDATED :
- 197903
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C13-H18-N4-O3
- MOLECULAR WEIGHT :
- 278.35
- WISWESSER LINE NOTATION :
- T56 BN DN FNVNVJ B1 F1 H1 CO- AL5TJ
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 :
- 100 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#06880