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74039-71-7

74039-71-7 structure
74039-71-7 structure

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

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