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ChemicalBook--->CAS DataBase List--->5415-44-1

5415-44-1

5415-44-1 Structure

5415-44-1 Structure
IdentificationBack Directory
[Name]

1,3,7-TRIMETHYLURIC ACID
[CAS]

5415-44-1
[Synonyms]

ba2753
Ba 2753
1,3,7-TRIMETHYLURIC ACID
Uric acid, 1,3,7-trimethyl-
2,6,8-TRIHYDROXY-1,3,7-TRIMETHYLPURINE
1,3,7-trimethyl-9H-purine-2,6,8-trione
1,3,7-triMethyl-1H-purine-2,6,8(3H,7H,9H)-trione
8(3h)-trione,7,9-dihydro-1,3,7-trimethyl-1h-purine-6
7,9-dihydro-1,3,7-trimethyl-1h-purine-2,6,8(3h)-trione
1,3,7-Trimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione
1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-1,3,7-trimethyl-
[EINECS(EC#)]

226-507-9
[Molecular Formula]

C8H10N4O3
[MDL Number]

MFCD00042773
[MOL File]

5415-44-1.mol
[Molecular Weight]

210.19
Chemical PropertiesBack Directory
[Melting point ]

≥300 °C
[Boiling point ]

349.7°C (rough estimate)
[density ]

1.3649 (rough estimate)
[refractive index ]

1.6590 (estimate)
[storage temp. ]

Refrigerator
[solubility ]

DMSO (Slightly, Heated), Methanol (Slightly, Heated)
[form ]

Solid
[pka]

5.85±0.70(Predicted)
[color ]

White to Pale Beige
[Water Solubility ]

24mg/L(room temperature)
Safety DataBack Directory
[WGK Germany ]

2
[RTECS ]

UP0783750
Hazard InformationBack Directory
[Uses]

1,3,7-Trimethyluric Acid is a caffeine derivative, and a methyl derivative of uric acid. Detected as a urine marker of caffeine consumption.
[Definition]

ChEBI: An oxopurine in which the purine ring is substituted by oxo groups at positions 2, 6, and 8, and the nitrogens at positions 1, 3, and 7 are substituted by methyl groups. It is a metabolite of caffeine.
[Purification Methods]

Crystallise it from water and dry it at 100o in a vacuum. It has UV: 289nm (pH 2.5). [Beilstein 26 III/IV 2623.]
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