8-(beta-Cyclohexylethyl)theophylline

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Names

[ CAS No. ]:
5426-90-4

[ Name ]:
8-(beta-Cyclohexylethyl)theophylline

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

Related Compounds

  • 8-beta-Hydroxy-9-beta,10-beta-epoxyverrucarin
  • (8-BETA)-9,10-DIDEHYDRO-6-METHYL-ERGOLINE-8-CARBONYLAZIDE
  • (8-beta)-N-Cyclohexyl-N-((cyclohexylamino)carbonyl)-6-(2-propenyl)ergo line-8-carboxamide
  • (8-beta)-9,10-Didehydro-1,6-dimethyl-8-(methoxymethyl)ergoline
  • (8-beta)-13-Bromo-1-(cyclopropylmethyl)-6,8-dimethylergoline
  • (8-beta)-N-(1-Methylethyl)-N-(((1-methylethyl)amino)carbonyl)-6-propyl ergoline-8-carboxamide
  • N-(4-chlorophenyl)-2-(3-((4-ethylphenyl)sulfonyl)-4-oxoquinolin-1(4H)-yl)acetamide
  • N-(4-chlorophenyl)-2-(3-((4-ethylphenyl)sulfonyl)-6-methyl-4-oxoquinolin-1(4H)-yl)acetamide
  • N-(4-chlorophenyl)-2-(3-((4-ethylphenyl)sulfonyl)-6-fluoro-4-oxoquinolin-1(4H)-yl)acetamide
  • 2-(3-((4-ethylphenyl)sulfonyl)-4-oxoquinolin-1(4H)-yl)-N-(4-fluorophenyl)acetamide
  • 2-(6-ethyl-3-((4-ethylphenyl)sulfonyl)-4-oxoquinolin-1(4H)-yl)-N-(4-fluorophenyl)acetamide
  • 2-(3-((4-ethylphenyl)sulfonyl)-6-methyl-4-oxoquinolin-1(4H)-yl)-N-(p-tolyl)acetamide
  • 2-(3-((4-ethylphenyl)sulfonyl)-6-fluoro-4-oxoquinolin-1(4H)-yl)-N-(p-tolyl)acetamide
  • N-(4-ethoxyphenyl)-2-(3-((4-ethylphenyl)sulfonyl)-4-oxoquinolin-1(4H)-yl)acetamide
  • 2-(3-((4-ethylphenyl)sulfonyl)-6-fluoro-4-oxoquinolin-1(4H)-yl)-N-(4-methoxyphenyl)acetamide
  • N-(4-ethylphenyl)-2-(3-((4-ethylphenyl)sulfonyl)-4-oxoquinolin-1(4H)-yl)acetamide
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