8-[(cis-4-Methylcyclohexyl)oxy]caffeine

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Names

[ CAS No. ]:
73747-37-2

[ Name ]:
8-[(cis-4-Methylcyclohexyl)oxy]caffeine

Chemical & Physical Properties

[ Density]:
1.37g/cm3

[ Boiling Point ]:
474ºC at 760 mmHg

[ Molecular Formula ]:
C15H22N4O3

[ Molecular Weight ]:
306.36000

[ Flash Point ]:
240.5ºC

[ Exact Mass ]:
306.16900

[ PSA ]:
71.05000

[ LogP ]:
0.92820

[ Index of Refraction ]:
1.648

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EV6585000
CHEMICAL NAME :
Caffeine, 8-((cis-4-methylcyclohexyl)oxy)-
CAS REGISTRY NUMBER :
73747-37-2
LAST UPDATED :
197903
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C15-H22-N4-O3
MOLECULAR WEIGHT :
306.41
WISWESSER LINE NOTATION :
T56 BN DN FNVNVJ B1 F1 H1 CO- AL6TJ D1

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#06885

Related Compounds

  • 1-hydroxyethyl-(4-methylcyclohexyl)oxy-oxophosphanium
  • 1-(4-methylcyclohexyl)oxy-2,4-dinitro-benzene
  • 2-[(4-Methylcyclohexyl)oxy]propanoic acid
  • Trimethyl[(4-methylcyclohexyl)oxy]silane
  • Piperazine, 1-(cis-4-methylcyclohexyl)- (9CI)
  • N-methyl-N-((((1r,4r)-4-methylcyclohexyl)oxy)methoxy)acetamide
  • Tert-butyl 1-(iodomethyl)-6-azaspiro[2.5]octane-6-carboxylate
  • 2-(5-Fluoro-2-methoxyphenyl)ethanethioamide
  • 2-ethyl-1-[(9H-fluoren-9-ylmethoxy)carbonyl]pyrrolidine-2-carboxylic acid
  • (3R)-3-(4-fluorophenyl)-3-hydroxypropanoic acid
  • 6-(3-Propan-2-ylpyrazol-1-yl)pyridine-3-carbaldehyde
  • 6-Butoxy-2-methylpyridin-3-amine
  • 2-(1-Amino-2-methoxypropan-2-yl)phenol
  • 5-(5-Chlorothiophen-2-yl)oxazol-2-amine
  • 3-(5-Amino-6-methylpyridin-2-yl)sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
  • Methyl 1-(2-Bromoethyl)-4-iodo-1H-pyrrole-2-carboxylate
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