Caffeine monohydrate
1,3,7-trimethylpurine-2,6-dione;hydrate
CAS: 5743-12-4
| Molecular Formula | C8H12N4O3 |
|---|---|
| Molecular Weight | 212.21 g/mol |
| Topological Polar Surface Area | 59.4 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.09094 |
| Heavy Atoms | 15 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 5743-12-4 |
|---|---|
| SMILES | CN1C=NC2=C1C(=O)N(C(=O)N2C)C.O |
| InChIKey | LCHGOKZNRDAXEK-UHFFFAOYSA-N |
📖 Product Overview
Caffeine monohydrate (CAS: 5743-12-4) is a chemical compound with molecular formula C8H12N4O3 and molecular weight 212.21 g/mol. Its IUPAC systematic name is 1,3,7-trimethylpurine-2,6-dione;hydrate.
LCHGOKZNRDAXEK-UHFFFAOYSA-N.
SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)C.O.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Frequently Asked Questions
What is the typical lead time for this product?
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Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
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📚 Academic Support
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