8-[4-(1H-benzoimidazol-2-yl)butyl]-1,3-dimethyl-7H-purine-2,6-dione
Names
[ CAS No. ]:
74039-64-8
[ Name ]:
8-[4-(1H-benzoimidazol-2-yl)butyl]-1,3-dimethyl-7H-purine-2,6-dione
Chemical & Physical Properties
[ Density]:
1.381g/cm3
[ Boiling Point ]:
718.4ºC at 760 mmHg
[ Molecular Formula ]:
C18H20N6O2
[ Molecular Weight ]:
352.39000
[ Flash Point ]:
388.3ºC
[ Exact Mass ]:
352.16500
[ PSA ]:
101.36000
[ LogP ]:
1.40200
[ Index of Refraction ]:
1.683
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XH4600000
- CHEMICAL NAME :
- Theophylline, 8-(4-(2-benzimidazolyl)butyl)-
- CAS REGISTRY NUMBER :
- 74039-64-8
- LAST UPDATED :
- 198812
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C18-H20-N6-O2
- MOLECULAR WEIGHT :
- 352.44
- WISWESSER LINE NOTATION :
- T56 BM DN FNVNVJ F1 H1 C4- CT56 BM DNJ
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#02452