1H-Purine-2,6-dione, 8-(3-cyclohexen-1-yl)-3,7-dihydro-1,3-dimethyl- (9CI)
Names
[ CAS No. ]:
74039-68-2
[ Name ]:
1H-Purine-2,6-dione, 8-(3-cyclohexen-1-yl)-3,7-dihydro-1,3-dimethyl- (9CI)
[Synonym ]:
8-(3-Cyclohexen-1-yl)theophylline
Theophylline,8-(3-cyclohexen-1-yl)
1H-Purine-2,6-dione,8-(3-cyclohexen-1-yl)-3,7-dihydro-1,3-dimethyl
Chemical & Physical Properties
[ Density]:
1.318g/cm3
[ Boiling Point ]:
524ºC at 760 mmHg
[ Molecular Formula ]:
C13H16N4O2
[ Molecular Weight ]:
260.29200
[ Flash Point ]:
270.7ºC
[ Exact Mass ]:
260.12700
[ PSA ]:
72.68000
[ LogP ]:
0.78400
[ Index of Refraction ]:
1.611
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XH5093320
- CHEMICAL NAME :
- Theophylline, 8-(3-cyclohexen-1-yl)-
- CAS REGISTRY NUMBER :
- 74039-68-2
- LAST UPDATED :
- 197906
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C13-H16-N4-O2
- MOLECULAR WEIGHT :
- 260.33
- WISWESSER LINE NOTATION :
- T56 BM DN FNVNVJ C- CL6UTJ& 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 :
- 18 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#06896