| Identification | Back 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 Properties | Back 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) |
| Hazard Information | Back 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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