for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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)CN3CCN(CC3)C4=CC=CC=C4)CCOC |
|---|---|
| IUPAC Name | 7-(2-methoxyethyl)-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione |
| InChIKey | ORUUPFTXKQCOPT-UHFFFAOYSA-N |
| INCHI | 1S/C21H28N6O3/c1-23-19-18(20(28)24(2)21(23)29)27(13-14-30-3)17(22-19)15-25-9-11-26(12-10-25)16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3 |
| Molecular Weight | 412.5 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperazines |
| Alternative Parents | N-arylpiperazines Xanthines 6-oxopurines Alkaloids and derivatives Aniline and substituted anilines Dialkylarylamines Aralkylamines Pyrimidones N-alkylpiperazines N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Trialkylamines Lactams Ureas Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpiperazine - N-arylpiperazine - Xanthine - 6-oxopurine - Purinone - Purine - Imidazopyrimidine - Alkaloid or derivatives - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Pyrimidone - N-alkylpiperazine - Aralkylamine - Pyrimidine - N-substituted imidazole - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Imidazole - Azole - Vinylogous amide - Lactam - Urea - Tertiary aliphatic amine - Tertiary amine - Azacycle - Ether - Dialkyl ether - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 412.500 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 412.222 Da |
| Monoisotopic Mass | 412.222 Da |
| Topological Polar Surface Area | 74.200 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 620.000 |
| 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 |
