1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-(1-propenyl)- (9CI)
Names
[ CAS No. ]:
73747-39-4
[ Name ]:
1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-(1-propenyl)- (9CI)
[Synonym ]:
8-Prop-1-enylcaffeine
Chemical & Physical Properties
[ Density]:
1.29g/cm3
[ Boiling Point ]:
434.2ºC at 760 mmHg
[ Molecular Formula ]:
C11H14N4O2
[ Molecular Weight ]:
234.25400
[ Flash Point ]:
216.4ºC
[ Exact Mass ]:
234.11200
[ PSA ]:
61.82000
[ LogP ]:
0.00380
[ Index of Refraction ]:
1.625
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- EV6625000
- CHEMICAL NAME :
- Caffeine, 8-(prop-1-enyl)-
- CAS REGISTRY NUMBER :
- 73747-39-4
- LAST UPDATED :
- 197903
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C11-H14-N4-O2
- MOLECULAR WEIGHT :
- 234.29
- WISWESSER LINE NOTATION :
- T56 BN DN FNVNVJ B1 C1U2 F1 H1
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#06867