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519-32-4

519-32-4 Structure

519-32-4 Structure
IdentificationBack Directory
[Name]

ISOCAFFEINE
[CAS]

519-32-4
[Synonyms]

ISOCAFFEINE
CAFFEINE IMP C
Caffeine EP Impurity C
1,3,9-TRIMETHYLXANTHINE
1,3,9- Trimethyllxanthine
1,3,9-trimethylpurine-2,6-dione
Caffeine IMpurity C (Isocaffeine)
2,6-DIHYDROXY-1,3,9-TRIMETHYLPURINE
Isocaffeine (1,3,9-Trimethylxanthine)
1,3,9-triMethyl-1H-purine-2,6(3H,9H)-dione
3,9-dihydro-1,3,9-trimethyl-1H-purine-2,6-dione
1,3,9-Trimethyl-3,9-dihydro-1H-purine-2,6-dione
2,6-Dihydroxy-1,3,9-trimethylpurine, Isocaffeine
1,3,9-TRIMETHYLXANTHINE (ISOCAFFEINE) 2, 6-DIHYDROXY-1,3,9-T
[EINECS(EC#)]

208-267-7
[Molecular Formula]

C8H10N4O2
[MDL Number]

MFCD00022834
[MOL File]

519-32-4.mol
[Molecular Weight]

194.19
Chemical PropertiesBack Directory
[Melting point ]

288-290°C (dec.)
[Boiling point ]

416.8±37.0 °C(Predicted)
[density ]

1.45±0.1 g/cm3(Predicted)
[storage temp. ]

Room temp
[solubility ]

H2O: >20mg/mL
[form ]

solid
[pka]

0.74±0.70(Predicted)
[color ]

White to Off-White
[BRN ]

196140
Hazard InformationBack Directory
[Uses]

Isocaffeine is an impurity of Caffeine (C080100), a xanthine alkaloid that acts as a stimulant drug and a reversible acetylcholinesterase inhibitor.
[General Description]

Pharmaceutical secondary standards for application in quality control provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards
[Biochem/physiol Actions]

1,3,9-Trimethylxanthine is an adenosine receptor antagonist.
Safety DataBack Directory
[WGK Germany ]

3
[F ]

10-23
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