CAFFEINE, 8-BENZYL-

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Names

[ CAS No. ]:
5426-88-0

[ Name ]:
CAFFEINE, 8-BENZYL-

[Synonym ]:
8-Benzyl-3,7-dihydro-1,3,7-trimethyl-1H-purin-2,6-dion
8-Benzyl-1,3,7-trimethyl-3,7-dihydro-purin-2,6-dion
8-benzyl-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione
8-Benzyl-caffeine
CAFFEINE,8-BENZYL

Chemical & Physical Properties

[ Density]:
1.3g/cm3

[ Boiling Point ]:
516.1ºC at 760 mmHg

[ Molecular Formula ]:
C15H16N4O2

[ Molecular Weight ]:
284.31300

[ Flash Point ]:
265.9ºC

[ Exact Mass ]:
284.12700

[ PSA ]:
61.82000

[ LogP ]:
0.56150

[ Index of Refraction ]:
1.657

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EV6490000
CHEMICAL NAME :
Caffeine, 8-benzyl-
CAS REGISTRY NUMBER :
5426-88-0
BEILSTEIN REFERENCE NO. :
0298246
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C15-H16-N4-O2
MOLECULAR WEIGHT :
284.35
WISWESSER LINE NOTATION :
T56 BN DN FNVNVJ B1 C1R& F1 H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 43,152,1954
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#04361

Safety Information

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 8-benzyltheophylline
  • methyl iodide
  • Caffeine
  • Benzene,1,1'-(1,3-butadiene-1,4-diyl)bis-
  • Dimethyl sulfate
  • diphenylethylene
  • diazomethane
  • Benzeneacetamide,N-(6-amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)-

DownStream

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • Caffeine, 8- (ethylthio)-
  • Caffeine,8,8'-heptamethylenedi- (8CI)
  • Caffeine,8,8'-(ethylenedinitrosimino)di- (7CI,8CI)
  • (S)-8-Benzyl-4-oxo-2,3,10,10a-tetrahydro-1H,4H-9-oxa-3a-aza-8-azonia-benzo[f]azulene; bromide
  • N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-ethoxy-3,5-dimethoxybenzamide,hydrochloride
  • N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-5-ethylsulfanyl-2,3-dimethoxybenzamide,oxalic acid
  • 2-{[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hexanamido]oxy}acetic acid
  • 2-{[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanamido]methyl}-3-methylbutanoic acid
  • 2-{[(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanamido]methyl}butanoic acid
  • (2R)-2-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentanamido]butanoic acid
  • (2R)-2-{2-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)ethoxy]acetamido}butanoic acid
  • (2R)-2-[(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylbutanamido]butanoic acid
  • 2-{2-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)ethoxy]acetamido}-2-methylpropanoic acid
  • (2S)-3-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylbutanamido]-2-hydroxypropanoic acid
  • (2S)-3-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentanamido]-2-hydroxypropanoic acid
  • 3-[(butan-2-yl)(ethyl)carbamoyl]-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid
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