≥98 atom% 15N,≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Room temperature,Argon charged Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504768228 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504768228 |
| Canonical Smiles | [H][15N]1C(=O)[15NH]C(=O)C2=C1NC(=O)N2 |
| IUPAC Name | 7,9-dihydro-3H-purine-2,6,8-trione |
| InChIKey | LEHOTFFKMJEONL-IOOOXAEESA-N |
| INCHI | 1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)/i8+1,9+1 |
| Isomeric SMILES | C12=C(NC(=O)N1)[15NH]C(=O)[15NH]C2=O |
| Alternate CAS | 69-93-2（unlabelled） |
| PubChem CID | 16213490 |
| Molecular Weight | 170.10 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Imidazopyrimidines |
| Subclass | Purines and purine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Xanthines |
| Alternative Parents | 6-oxopurines Alkaloids and derivatives Pyrimidones Vinylogous amides Imidazoles Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 A2621032 | Certificate of Analysis | Aug 30, 2025 | U471861 |
| F2617008 | Certificate of Analysis | Aug 30, 2025 | U471861 |
| I2508620 | Certificate of Analysis | Aug 30, 2025 | U471861 |
| I2508621 | Certificate of Analysis | Aug 30, 2025 | U471861 |
| I2508622 | Certificate of Analysis | Aug 30, 2025 | U471861 |
| F2406234 | Certificate of Analysis | May 29, 2024 | U471861 |
| F2406235 | Certificate of Analysis | May 29, 2024 | U471861 |
| F2406240 | Certificate of Analysis | May 29, 2024 | U471861 |
| F2406292 | Certificate of Analysis | May 29, 2024 | U471861 |
| F2406293 | Certificate of Analysis | May 29, 2024 | U471861 |
| F2406294 | Certificate of Analysis | May 29, 2024 | U471861 |
| K2412231 | Certificate of Analysis | May 29, 2024 | U471861 |
| Sensitivity | Moisture sensitive；light sensitive |
|---|---|
| Melt Point(°C) | >300° C |
| Molecular Weight | 170.100 g/mol |
| XLogP3 | -1.900 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 170.022 Da |
| Monoisotopic Mass | 170.022 Da |
| Topological Polar Surface Area | 99.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 332.000 |
| Isotope Atom Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
