1H-Purine-2,6-dione, 8-(2-cyclopentylethyl)-3,7-dihydro-1,3-dimethyl- (9CI)

Modify Date: 2023-02-01 22:24:43

1H-Purine-2,6-dione, 8-(2-cyclopentylethyl)-3,7-dihydro-1,3-dimethyl- (9CI) Structure
1H-Purine-2,6-dione, 8-(2-cyclopentylethyl)-3,7-dihydro-1,3-dimethyl- (9CI) structure
Common Name 1H-Purine-2,6-dione, 8-(2-cyclopentylethyl)-3,7-dihydro-1,3-dimethyl- (9CI)
CAS Number 74039-71-7 Molecular Weight 276.33400
Density 1.253g/cm3 Boiling Point 516.3ºC at 760 mmHg
Molecular Formula C14H20N4O2 Melting Point N/A
MSDS N/A Flash Point 266ºC

 Names

Name 8-(2-cyclopentylethyl)-1,3-dimethyl-7H-purine-2,6-dione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.253g/cm3
Boiling Point 516.3ºC at 760 mmHg
Molecular Formula C14H20N4O2
Molecular Weight 276.33400
Flash Point 266ºC
Exact Mass 276.15900
PSA 72.68000
LogP 1.08310
Index of Refraction 1.583

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5093650
CHEMICAL NAME :
Theophylline, 8-(2-cyclopentylethyl)-
CAS REGISTRY NUMBER :
74039-71-7
LAST UPDATED :
197906
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H20-N4-O2
MOLECULAR WEIGHT :
276.38
WISWESSER LINE NOTATION :
T56 BM DN FNVNVJ C2- AL5TJ& F1 H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 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#06861

 Synonyms

8-(2-cyclopentylethyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
Theophylline,8-(2-cyclopentylethyl)
8-(2-Cyclopentylethyl)theophylline
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