8-Cyclobutyl theophylline
Names
[ CAS No. ]:
35873-48-4
[ Name ]:
8-Cyclobutyl theophylline
[Synonym ]:
8-cyclobutyl-1,3-dimethyl-3,9-dihydro-1h-purine-2,6-dione
8-Cyclobutyl theophylline
Theophylline,8-cyclobutyl
8-Cyclobutyl-theophyllin
Xanthine,3-cyclobutyl-1,3-dimethyl
8-cyclobutyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
Chemical & Physical Properties
[ Density]:
1.389g/cm3
[ Boiling Point ]:
508.8ºC at 760 mmHg
[ Molecular Formula ]:
C11H14N4O2
[ Molecular Weight ]:
234.25400
[ Flash Point ]:
261.5ºC
[ Exact Mass ]:
234.11200
[ PSA ]:
72.68000
[ LogP ]:
0.22780
[ Index of Refraction ]:
1.627
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XH5093300
- CHEMICAL NAME :
- Theophylline, 8-cyclobutyl-
- CAS REGISTRY NUMBER :
- 35873-48-4
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C11-H14-N4-O2
- MOLECULAR WEIGHT :
- 234.29
- WISWESSER LINE NOTATION :
- T56 BM DN FNVNVJ F1 H1 C- AL4TJ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 14,1202,1971
Safety Information
[ HS Code ]:
2933990090
Customs
[ HS Code ]: 2933990090
[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%