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6-Amino-1-methyluracil: Comprehensive Technical Guide
Table of Contents
1. Chemical Identification & Basic Properties
| Parameter | Specification |
|---|---|
| CAS Number | 2434-53-9 |
| IUPAC Name | 6-Amino-1-methyl-1H-pyrimidine-2,4-dione |
| Molecular Formula | C5H7N3O2 |
| Molecular Weight | 141.13 g/mol |
2. Physicochemical Characteristics
| Property | Value |
|---|---|
| Appearance | Off-white to pale yellow crystalline powder |
| Melting Point | >300°C |
| Density | 1.339 g/cm³ |
| Refractive Index | 1.548 |
3. Industrial Applications
Primary functional roles include:
- Pharmaceutical intermediate for antithrombotic agents
- Precursor in nucleoside analog synthesis
- Key component in research-grade biochemical reagents
4. Safety & Handling Protocols
| Hazard Code | Risk Statement |
|---|---|
| R22 | Harmful if swallowed |
| R36/37/38 | Irritating to eyes/respiratory system/skin |
Mandatory PPE: Chemical goggles, nitrile gloves, Type IIR mask
5. Computational Chemistry Data
- Topological Polar Surface Area: 75.4 Ų
- Hydrogen Bond Donor Count: 2
- Rotatable Bond Count: 0
- XLogP3: -1.3
6. Synthesis Methodology
Optimized production process:
- Condensation of ethyl acetoacetate with urea
- Catalyzed by PEG-400 (phase transfer catalyst)
- Recrystallization from ethanol/water mixture
7. Environmental Considerations
- Aquatic toxicity: LC50 >100 mg/L (Daphnia magna)
- Biodegradation: Not readily biodegradable
- Waste treatment: Incineration with NOx scrubbers
8. Commercial Specifications
| Parameter | Premium Grade | Industrial Grade |
|---|---|---|
| Purity (HPLC) | >99.5% | >97.0% |
| Heavy Metals | <10 ppm | <50 ppm |
| Moisture Content | <0.5% | <1.0% |
Technical & Commercial Inquiry
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