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.
| Sonrisas canónicas | CC1=CC=CC=C1N2CCN(CC2)CC(CN3C4=CC=CC=C4N5C3=C(C(=CC5=O)C)C#N)O |
|---|---|
| IUPAC Name | 5-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile |
| InChIKey | JVBZYEJFUGOLQV-UHFFFAOYSA-N |
| INCHI | 1S/C27H29N5O2/c1-19-7-3-4-8-23(19)30-13-11-29(12-14-30)17-21(33)18-31-24-9-5-6-10-25(24)32-26(34)15-20(2)22(16-28)27(31)32/h3-10,15,21,33H,11-14,17-18H2,1-2H3 |
| Peso molecular | 455.6 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperazines |
| Alternative Parents | N-arylpiperazines Benzimidazoles Imidazo[1,2-a]pyridines Aminotoluenes Aniline and substituted anilines Dialkylarylamines Pyridinones Methylpyridines N-alkylpiperazines N-substituted imidazoles Heteroaromatic compounds Trialkylamines Lactams 1,2-aminoalcohols Secondary alcohols Azacyclic compounds Nitriles Organic oxides Hydrocarbon derivatives Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpiperazine - N-arylpiperazine - Benzimidazole - Imidazo[1,2-a]pyridine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aminotoluene - Methylpyridine - N-alkylpiperazine - Toluene - Pyridinone - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Pyridine - Heteroaromatic compound - Azole - Imidazole - Lactam - Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Secondary alcohol - Nitrile - Carbonitrile - Azacycle - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Alcohol - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound |
| Descripción | 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 |
| Peso molecular | 455.600 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 455.232 Da |
| Monoisotopic Mass | 455.232 Da |
| Topological Polar Surface Area | 74.100 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 896.000 |
| 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 |
![5-{2-Hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl}-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile , CAS No.831177-54-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)