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

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Names

[ CAS No. ]:
73747-39-4

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

[Synonym ]:
8-Prop-1-enylcaffeine

Chemical & Physical Properties

[ Density]:
1.29g/cm3

[ Boiling Point ]:
434.2ºC at 760 mmHg

[ Molecular Formula ]:
C11H14N4O2

[ Molecular Weight ]:
234.25400

[ Flash Point ]:
216.4ºC

[ Exact Mass ]:
234.11200

[ PSA ]:
61.82000

[ LogP ]:
0.00380

[ Index of Refraction ]:
1.625

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EV6625000
CHEMICAL NAME :
Caffeine, 8-(prop-1-enyl)-
CAS REGISTRY NUMBER :
73747-39-4
LAST UPDATED :
197903
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H14-N4-O2
MOLECULAR WEIGHT :
234.29
WISWESSER LINE NOTATION :
T56 BN DN FNVNVJ B1 C1U2 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 :
100 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#06867

Related Compounds

  • O-{2-[4-(propan-2-yloxy)phenyl]propyl}hydroxylamine
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
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  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 3-Amino-3-(1-benzylpyrrolidin-2-yl)cyclobutan-1-ol
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  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • 1-[6-cyano-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hexanoyl]-3-methylazetidine-3-carboxylic acid
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide