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

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Names

[ CAS No. ]:
74039-71-7

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

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

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

Related Compounds

  • 2,3-Dichlorobenzoic anhydride
  • 6-(1-(4-Fluoro-2-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one
  • 4-Chloro-6-(2-chloro-3-fluorophenyl)pyrimidine
  • 3,4,5,6-tetrachloro-N-(4-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
  • [1-(1H-Benzoimidazol-2-yl)-piperidin-4-yl]diphenylmethanol
  • 2-(4-Benzhydryl-piperidin-1-yl)-1H-benzoimidazole
  • 4-bromo-N-(2-(2-(p-tolyl)thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl)benzamide
  • 2-bromo-N-(2-(2-(4-methoxyphenyl)thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl)benzamide
  • 3,4,5,6-tetrachloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
  • N5,N5-Bis-(2-methoxy-ethyl)-pyridine-2,5-diamine
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