≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
2～8℃で保存 Ships 濡れた氷 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.
| パブケム・シド | 504756116 |
|---|---|
| パブケム・シド・ウル | https://pubchem.ncbi.nlm.nih.gov/substance/504756116 |
| カノニカル・スマイル | C12=C(NC(=O)N=C1NC(=O)N2)N |
| IUPAC Name | 6-amino-7,9-dihydro-1H-purine-2,8-dione |
| InChIKey | XFBOJHLYDJZYSP-UHFFFAOYSA-N |
| INCHI | 1S/C5H5N5O2/c6-2-1-3(9-4(11)7-1)10-5(12)8-2/h(H5,6,7,8,9,10,11,12) |
| 異性体SMILES | C12=C(NC(=O)N=C1NC(=O)N2)N |
| PubChem CID | 92268 |
| 分子量 | 167.13 |
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 |
| 分類 | Imidazopyrimidines |
| Subclass | Purines and purine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Purinones |
| Alternative Parents | 6-aminopurines Pyrimidones Aminopyrimidines and derivatives Imidazoles Heteroaromatic compounds Ureas Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 6-aminopurine - Purinone - Aminopyrimidine - Pyrimidone - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Urea - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as purinones. These are purines in which the purine moiety bears a C=O group. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring. |
| External Descriptors | Not available |
| 溶解度 | Soluble in water (0.002 mg/ml at 23° C), and Aqueous Base (Slightly, Heated). |
|---|---|
| 融点（°C） | >300° C (dec.) |
| 分子量 | 167.130 g/mol |
| XLogP3 | -1.900 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 167.044 Da |
| Monoisotopic Mass | 167.044 Da |
| Topological Polar Surface Area | 109.000 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 342.000 |
| 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 |
C2420116