1,3-Dimethyluric acid
Synonym(s):1,3-Dimethyl-2,6,8-trihydroxypurine;1,3-Dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione;Oxytheophylline
- CAS NO.：944-73-0
- Empirical Formula: C7H8N4O3
- Molecular Weight: 196.16
- MDL number: MFCD00009740
- EINECS: 213-410-1
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-19 23:02:33
What is 1,3-Dimethyluric acid?
Chemical properties
white to yellowish powder
The Uses of 1,3-Dimethyluric acid
1,3-Dimethyluric Acid, is a metabolite of Caffeine (C080100), that is shown to have some of Its similar effects.
Definition
ChEBI: 1,3-dimethyluric acid is an oxopurine that is 7,9-dihydro-1H-purine-2,6,8(3H)-trionesubstituted by methyl groups at N-1 and N-3. It has a role as a metabolite. It derives from a 7,9-dihydro-1H-purine-2,6,8(3H)-trione. It is a conjugate acid of a 1,3-dimethylurate anion.
Properties of 1,3-Dimethyluric acid
| Melting point: | ≥300 °C(lit.) |
| Boiling point: | 333.04°C (rough estimate) |
| Density | 1.4375 (rough estimate) |
| refractive index | 1.6700 (estimate) |
| storage temp. | Sealed in dry,Store in freezer, under -20°C |
| solubility | 1 M NH4OH: soluble50mg/mL, clear to slightly hazy, colorless to faintly yellow |
| form | Solid |
| pka | 5.61±0.50(Predicted) |
| color | Light Yellow |
| CAS DataBase Reference | 944-73-0 |
Safety information for 1,3-Dimethyluric acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 1,3-Dimethyluric acid
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