≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature 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.
| Canonical Smiles | CCOC(CC(CN1C=NC2=C1N=C(NC2=O)N)CO)OCC |
|---|---|
| IUPAC Name | 2-amino-9-[(2R)-4,4-diethoxy-2-(hydroxymethyl)butyl]-1H-purin-6-one |
| InChIKey | IDFDGVJRIDONQK-SECBINFHSA-N |
| INCHI | 1S/C14H23N5O4/c1-3-22-10(23-4-2)5-9(7-20)6-19-8-16-11-12(19)17-14(15)18-13(11)21/h8-10,20H,3-7H2,1-2H3,(H3,15,17,18,21)/t9-/m1/s1 |
| Isomeric SMILES | CCOC(C[C@H](CN1C=NC2=C1N=C(NC2=O)N)CO)OCC |
| Alternate CAS | 195157-25-6 |
| PubChem CID | 135444584 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 Primary aromatic amines N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Azacyclic compounds Acetals Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 6-oxopurine - Hypoxanthine - Aminopyrimidine - Pyrimidone - N-substituted imidazole - Pyrimidine - Primary aromatic amine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Acetal - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Alcohol - Primary alcohol - Primary amine - 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 |
| Molecular Weight | 325.360 g/mol |
|---|---|
| XLogP3 | -0.700 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Exact Mass | 325.175 Da |
| Monoisotopic Mass | 325.175 Da |
| Topological Polar Surface Area | 124.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 427.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
![6H-Purin-6-one, 2-amino-9-[(2R)-4,4-diethoxy-2-(hydroxymethyl)butyl]-1,9-dihydro- - ≥95% , CAS No.195157-25-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)