1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione

Modify Date: 2024-04-02 13:43:53

1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione Structure
1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione structure
Common Name 1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione
CAS Number 61444-26-6 Molecular Weight 220.22800
Density 1.32g/cm3 Boiling Point 426.1ºC at 760 mmHg
Molecular Formula C10H12N4O2 Melting Point N/A
MSDS N/A Flash Point 211.5ºC

 Names

Name 1,3-dimethyl-7-prop-2-enylpurine-2,6-dione
Synonym More Synonyms

 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

 Synonyms

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