1,3-dimethyl-8-prop-2-enyl-7H-purine-2,6-dione

Modify Date: 2024-01-10 14:39:47

1,3-dimethyl-8-prop-2-enyl-7H-purine-2,6-dione Structure
1,3-dimethyl-8-prop-2-enyl-7H-purine-2,6-dione structure
Common Name 1,3-dimethyl-8-prop-2-enyl-7H-purine-2,6-dione
CAS Number 74039-62-6 Molecular Weight 220.22800
Density 1.316g/cm3 Boiling Point 466.6ºC at 760 mmHg
Molecular Formula C10H12N4O2 Melting Point N/A
MSDS N/A Flash Point 236ºC

 Names

Name 1,3-dimethyl-8-prop-2-enyl-7H-purine-2,6-dione
Synonym More Synonyms

 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

 Synonyms

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