for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Sonrisas canónicas | CC1CCCN(C1)CC2=NC3=C(N2CC(=O)C4=CC=CC=C4)C(=O)N(C(=O)N3C)C |
|---|---|
| IUPAC Name | 1,3-dimethyl-8-[(3-methylpiperidin-1-yl)methyl]-7-phenacylpurine-2,6-dione |
| InChIKey | URASIJOSVZWXDC-UHFFFAOYSA-N |
| INCHI | 1S/C22H27N5O3/c1-15-8-7-11-26(12-15)14-18-23-20-19(21(29)25(3)22(30)24(20)2)27(18)13-17(28)16-9-5-4-6-10-16/h4-6,9-10,15H,7-8,11-14H2,1-3H3 |
| Peso molecular | 409.5 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Clase | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Xanthines 6-oxopurines Alkaloids and derivatives Aryl alkyl ketones Benzoyl derivatives Pyrimidones Aralkylamines Piperidines N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Trialkylamines Lactams Azacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alkyl-phenylketone - Xanthine - 6-oxopurine - Purinone - Purine - Alkaloid or derivatives - Imidazopyrimidine - Benzoyl - Aryl alkyl ketone - Aralkylamine - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - N-substituted imidazole - Piperidine - Vinylogous amide - Imidazole - Heteroaromatic compound - Azole - Urea - Lactam - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
| Peso molecular | 409.500 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 409.211 Da |
| Monoisotopic Mass | 409.211 Da |
| Topological Polar Surface Area | 78.800 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 680.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
