1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione
Names
[ CAS No. ]:
61444-26-6
[ Name ]:
1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione
[Synonym ]:
Theophylline,7-allyl
N-allyltheophyllin
N7-Allyltheophylline
N5-allyl-1,3-dimethylxanthine
N-allyltheophylline
7-Allyltheophylline
7-Allyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-7-(2-propenyl)
7-allyl-1,3-dimethylxanthine
Chemical & Physical Properties
[ Density]:
1.32g/cm3
[ Boiling Point ]:
426.1ºC at 760 mmHg
[ Molecular Formula ]:
C10H12N4O2
[ Molecular Weight ]:
220.22800
[ Flash Point ]:
211.5ºC
[ Exact Mass ]:
220.09600
[ PSA ]:
61.82000
[ Index of Refraction ]:
1.638
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XH3859550
- CHEMICAL NAME :
- Theophylline, 7-allyl-
- CAS REGISTRY NUMBER :
- 61444-26-6
- BEILSTEIN REFERENCE NO. :
- 0226015
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C10-H12-N4-O2
- MOLECULAR WEIGHT :
- 220.26
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 315 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 116,343,1956
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 299 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 116,343,1956