1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-(1-methylethyl)-

Modify Date: 2023-01-16 10:13:42

1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-(1-methylethyl)- Structure
1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-(1-methylethyl)- structure
Common Name 1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-(1-methylethyl)-
CAS Number 2850-40-0 Molecular Weight 222.24400
Density 1.284g/cm3 Boiling Point 447.6ºC at 760 mmHg
Molecular Formula C10H14N4O2 Melting Point N/A
MSDS N/A Flash Point 224.5ºC

 Names

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

 Chemical & Physical Properties

Density 1.284g/cm3
Boiling Point 447.6ºC at 760 mmHg
Molecular Formula C10H14N4O2
Molecular Weight 222.24400
Flash Point 224.5ºC
Exact Mass 222.11200
PSA 72.68000
LogP 0.08370
Vapour Pressure 3.33E-08mmHg at 25°C
Index of Refraction 1.577

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5920000
CHEMICAL NAME :
Theophylline, 8-isopropyl-
CAS REGISTRY NUMBER :
2850-40-0
LAST UPDATED :
199012
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H14-N4-O2
MOLECULAR WEIGHT :
222.28
WISWESSER LINE NOTATION :
T56 BM DN FNVNVJ CY1&1 F1 H1

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 :
150 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

 Synthetic Route

~%

1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-(1-methylethyl)- Structure

1H-Purine-2,6-d...

CAS#:2850-40-0

Literature: Speer; Raymond Journal of the American Chemical Society, 1953 , vol. 75, p. 114

 Precursor & DownStream

Precursor  2

DownStream  0

 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%

 Synonyms

8-isopropyl-1,3-dimethyl-3,7(9)-dihydro-purine-2,6-dione
1,3-dimethyl-8-isopropylxanthine
8-isopropyl-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
8-isopropyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
8-Isopropyl theophylline
1,3-Dimethyl-8-isopropyl-xanthin
Theophylline,8-isopropyl
8-Isopropyl-1,3-dimethyl-3,7-dihydro-purin-2,6-dion
Xanthine,1,3-dimethyl-8-isopropyl
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