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 | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)CC4=CC=CC=C4)CC(=O)C5=CC=CC=C5 |
|---|---|
| IUPAC Name | 8-(4-benzylpiperazin-1-yl)-1,3-dimethyl-7-phenacylpurine-2,6-dione |
| InChIKey | RXXBTALHSACIEO-UHFFFAOYSA-N |
| INCHI | 1S/C26H28N6O3/c1-28-23-22(24(34)29(2)26(28)35)32(18-21(33)20-11-7-4-8-12-20)25(27-23)31-15-13-30(14-16-31)17-19-9-5-3-6-10-19/h3-12H,13-18H2,1-2H3 |
| Molecular Weight | 472.5 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | N-arylpiperazines Xanthines 6-oxopurines Alkaloids and derivatives Aryl alkyl ketones Benzoyl derivatives Benzylamines Dialkylarylamines Phenylmethylamines N-alkylpiperazines Aralkylamines Pyrimidones Aminoimidazoles N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Lactams Ureas Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alkyl-phenylketone - N-arylpiperazine - Xanthine - 6-oxopurine - Purinone - Imidazopyrimidine - Purine - Alkaloid or derivatives - Benzoyl - Benzylamine - Phenylmethylamine - Dialkylarylamine - Aryl alkyl ketone - Aralkylamine - Pyrimidone - N-alkylpiperazine - Benzenoid - Aminoimidazole - Monocyclic benzene moiety - 1,4-diazinane - N-substituted imidazole - Piperazine - Pyrimidine - Vinylogous amide - Heteroaromatic compound - Azole - Imidazole - Lactam - Urea - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Amine - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | 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 |
| Molecular Weight | 472.500 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 472.222 Da |
| Monoisotopic Mass | 472.222 Da |
| Topological Polar Surface Area | 82.000 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 788.000 |
| 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 |
