≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 | 504773310 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504773310 |
| Canonical Smiles | CC(=O)NC1=NC2=C(C(=O)N1)N=CN2C(=O)C |
| IUPAC Name | N-(9-acetyl-6-oxo-1H-purin-2-yl)acetamide |
| InChIKey | GILZZWCROUGLIS-UHFFFAOYSA-N |
| INCHI | 1S/C9H9N5O3/c1-4(15)11-9-12-7-6(8(17)13-9)10-3-14(7)5(2)16/h3H,1-2H3,(H2,11,12,13,15,17) |
| Isomeric SMILES | CC(=O)NC1=NC2=C(C(=O)N1)N=CN2C(=O)C |
| Molecular Weight | 235.2 |
| Reaxy-Rn | 5755578 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5755578&ln= |
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 | Purinones |
| Direct Parent | Hypoxanthines |
| Alternative Parents | 6-oxopurines N-acetylarylamines Pyrimidones N-acylimidazoles Carbonylimidazoles Vinylogous amides Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 6-oxopurine - Hypoxanthine - N-acetylarylamine - N-arylamide - N-acylimidazole - Imidazole-1-carbonyl group - Pyrimidone - N-substituted imidazole - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring. |
| 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 |
|---|---|---|---|
 J2119131 | Certificate of Analysis | Aug 07, 2025 | N129091 |
| J2119194 | Certificate of Analysis | Aug 07, 2025 | N129091 |
| K2406468 | Certificate of Analysis | Jun 17, 2024 | N129091 |
| K2406473 | Certificate of Analysis | Jun 17, 2024 | N129091 |
| E2420026 | Certificate of Analysis | Oct 23, 2021 | N129091 |
| F2520067 | Certificate of Analysis | Oct 23, 2021 | N129091 |
| Melt Point(°C) | 285°C |
|---|---|
| Molecular Weight | 235.200 g/mol |
| XLogP3 | -1.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 235.071 Da |
| Monoisotopic Mass | 235.071 Da |
| Topological Polar Surface Area | 105.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 419.000 |
| Isotope Atom Count | 0 |
| 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 |
