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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 | CC(CN(C1=CC=CC=N1)C(=O)C2=CC=C(C=C2)C#N)N3CCN(CC3)C4=C5C(=CC=C4)OCCO5.Cl |
|---|---|
| IUPAC Name | 4-cyano-N-[(2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-N-pyridin-2-ylbenzamide;hydrochloride |
| InChIKey | GXYZREDEYDFJPT-ZMBIFBSDSA-N |
| INCHI | 1S/C28H29N5O3.ClH/c1-21(31-13-15-32(16-14-31)24-5-4-6-25-27(24)36-18-17-35-25)20-33(26-7-2-3-12-30-26)28(34)23-10-8-22(19-29)9-11-23;/h2-12,21H,13-18,20H2,1H3;1H/t21-;/m1./s1 |
| Isómeros SMILES | C[C@H](CN(C1=CC=CC=N1)C(=O)C2=CC=C(C=C2)C#N)N3CCN(CC3)C4=C5C(=CC=C4)OCCO5.Cl |
| PubChem CID | 11156648 |
| Peso molecular | 520 |
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 | N-arylpiperazines |
| Alternative Parents | Benzo-1,4-dioxanes Benzamides Benzonitriles Dialkylarylamines Benzoyl derivatives Alkyl aryl ethers N-alkylpiperazines Pyridines and derivatives Para dioxins Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Nitriles Organic oxides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-arylpiperazine - Benzo-1,4-dioxane - Benzodioxane - Benzamide - Benzoic acid or derivatives - Benzonitrile - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - N-alkylpiperazine - Alkyl aryl ether - Imidolactam - Benzenoid - Monocyclic benzene moiety - Pyridine - Para-dioxin - Heteroaromatic compound - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Organooxygen compound - Organic oxide - Cyanide - Organic oxygen compound - Amine - Organonitrogen compound - Hydrochloride - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group. |
| External Descriptors | Not available |
| Peso molecular | 520.000 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 519.204 Da |
| Monoisotopic Mass | 519.204 Da |
| Topological Polar Surface Area | 81.900 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 770.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 2 |