8-(beta-Cyclohexylethyl)theophylline

Modify Date: 2024-01-20 14:32:51

8-(beta-Cyclohexylethyl)theophylline Structure
8-(beta-Cyclohexylethyl)theophylline structure
 Common Name 8-(beta-Cyclohexylethyl)theophylline
CAS Number 5426-90-4 Molecular Weight 290.36100
Density 1.218g/cm3 Boiling Point 525ºC at 760 mmHg
Molecular Formula C15H22N4O2 Melting Point N/A
MSDS N/A Flash Point 271.3ºC

 Names

Name 8-(2-cyclohexylethyl)-1,3-dimethyl-7H-purine-2,6-dione

 Chemical & Physical Properties

Density 1.218g/cm3
Boiling Point 525ºC at 760 mmHg
Molecular Formula C15H22N4O2
Molecular Weight 290.36100
Flash Point 271.3ºC
Exact Mass 290.17400
PSA 72.68000
LogP 1.47320
Index of Refraction 1.572

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5093400
CHEMICAL NAME :
Theophylline, 8-(2-cyclohexylethyl)-
CAS REGISTRY NUMBER :
5426-90-4
LAST UPDATED :
197901
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C15-H22-N4-O2
MOLECULAR WEIGHT :
290.41
WISWESSER LINE NOTATION :
T56 BM DN FNVNVJ C2- AL6TJ& 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#04359
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