1,3-dimethyl-8-prop-2-enyl-7H-purine-2,6-dione
Names
[ CAS No. ]:
74039-62-6
[ Name ]:
1,3-dimethyl-8-prop-2-enyl-7H-purine-2,6-dione
[Synonym ]:
8-Allyl-1,3-dimethyl-3,7-dihydro-purin-2,6-dion
8-Allyltheophylline
8-Allyl-theophyllin
8-allyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
Theophylline,8-allyl
1,3-dimethyl-8-(prop-2-en-1-yl)-3,7-dihydro-1h-purine-2,6-dione
Chemical & Physical Properties
[ Density]:
1.316g/cm3
[ Boiling Point ]:
466.6ºC at 760 mmHg
[ Molecular Formula ]:
C10H12N4O2
[ Molecular Weight ]:
220.22800
[ Flash Point ]:
236ºC
[ Exact Mass ]:
220.09600
[ PSA ]:
72.68000
[ Index of Refraction ]:
1.597
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XH3859600
- CHEMICAL NAME :
- Theophylline, 8-allyl-
- CAS REGISTRY NUMBER :
- 74039-62-6
- BEILSTEIN REFERENCE NO. :
- 0212088
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C10-H12-N4-O2
- MOLECULAR WEIGHT :
- 220.26
- WISWESSER LINE NOTATION :
- T56 BM DN FNVNVJ C2U1 F1 H1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 43,152,1954
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 180 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#04390