Determine the necessary mass, volume, or concentration for preparing a solution.
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≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated 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 | 504773311 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504773311 |
| Canonical Smiles | C1=NC2=C(N1)C(=O)NC(=N2)N.Cl |
| IUPAC Name | 2-amino-1,7-dihydropurin-6-one;hydrochloride |
| InChIKey | IBAOFQIOOBQLHE-UHFFFAOYSA-N |
| INCHI | 1S/C5H5N5O.ClH/c6-5-9-3-2(4(11)10-5)7-1-8-3;/h1H,(H4,6,7,8,9,10,11);1H |
| Isomeric SMILES | C1=NC2=C(N1)C(=O)NC(=N2)N.Cl |
| WGK Germany | 3 |
| RTECS | MF8400000 |
| Molecular Weight | 187.59 |
| Beilstein | 4159901 |
| Reaxy-Rn | 4020917 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4020917&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 Pyrimidones Aminopyrimidines and derivatives Vinylogous amides Imidazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 6-oxopurine - Hypoxanthine - Aminopyrimidine - Pyrimidone - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Imidazole - Azole - Azacycle - Hydrochloride - Organic oxide - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - 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 |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | May 12, 2025 | G111611 | |
| Certificate of Analysis | May 12, 2025 | G111611 | |
| Certificate of Analysis | Jan 16, 2025 | G111611 | |
| Certificate of Analysis | Sep 29, 2024 | G111611 | |
| Certificate of Analysis | Dec 01, 2023 | G111611 | |
| Certificate of Analysis | Dec 01, 2023 | G111611 | |
| Certificate of Analysis | Dec 01, 2023 | G111611 | |
| Certificate of Analysis | Dec 01, 2023 | G111611 | |
| Certificate of Analysis | Dec 01, 2023 | G111611 | |
| Certificate of Analysis | Dec 01, 2023 | G111611 | |
| Certificate of Analysis | Dec 01, 2023 | G111611 | |
| Certificate of Analysis | Dec 01, 2023 | G111611 | |
| Certificate of Analysis | Sep 05, 2023 | G111611 | |
| Certificate of Analysis | Sep 05, 2023 | G111611 | |
| Certificate of Analysis | May 19, 2023 | G111611 | |
| Certificate of Analysis | Jul 21, 2021 | G111611 |
| Solubility | Slightly soluble in water |
|---|---|
| Melt Point(°C) | ≥300°C |
| Molecular Weight | 187.590 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 187.026 Da |
| Monoisotopic Mass | 187.026 Da |
| Topological Polar Surface Area | 96.200 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 225.000 |
| 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 | 2 |