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)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)CCOC |
|---|---|
| IUPAC Name | 7-(2-methoxyethyl)-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methylpurine-2,6-dione |
| InChIKey | XCFQMRGMCJNRNW-UHFFFAOYSA-N |
| INCHI | 1S/C20H26N6O4/c1-23-17-16(18(27)22-20(23)28)26(12-13-29-2)19(21-17)25-10-8-24(9-11-25)14-4-6-15(30-3)7-5-14/h4-7H,8-13H2,1-3H3,(H,22,27,28) |
| Molecular Weight | 414.5 |
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 Methoxyanilines Aminophenyl ethers Phenoxy compounds Methoxybenzenes Dialkylarylamines Anisoles Pyrimidones Alkyl aryl ethers N-substituted imidazoles Aminoimidazoles Vinylogous amides Heteroaromatic compounds Ureas Lactams Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-arylpiperazine - Phenylpiperazine - Xanthine - 6-oxopurine - Purinone - Aminophenyl ether - Methoxyaniline - Alkaloid or derivatives - Purine - Imidazopyrimidine - Methoxybenzene - Phenoxy compound - Tertiary aliphatic/aromatic amine - Anisole - Dialkylarylamine - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Pyrimidone - Benzenoid - Aminoimidazole - Monocyclic benzene moiety - Pyrimidine - N-substituted imidazole - Vinylogous amide - Azole - Imidazole - Heteroaromatic compound - Lactam - Urea - Tertiary amine - Azacycle - Ether - Dialkyl ether - Organonitrogen compound - Organopnictogen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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 | 414.500 g/mol |
|---|---|
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 414.202 Da |
| Monoisotopic Mass | 414.202 Da |
| Topological Polar Surface Area | 92.200 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 |
