≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Desiccated Ships Ice chest + Ice pads 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.
| Pubchem Sid | 504766556 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504766556 |
| Canonical Smiles | C=CCN1CCN(CC1)C2=NC3=CC=CC=C3N=C2C#N.C(=CC(=O)O)C(=O)O |
| IUPAC Name | (Z)-but-2-enedioic acid;3-(4-prop-2-enylpiperazin-1-yl)quinoxaline-2-carbonitrile |
| InChIKey | UHLVYEOCPBNJNA-BTJKTKAUSA-N |
| INCHI | 1S/C16H17N5.C4H4O4/c1-2-7-20-8-10-21(11-9-20)16-15(12-17)18-13-5-3-4-6-14(13)19-16;5-3(6)1-2-4(7)8/h2-6H,1,7-11H2;1-2H,(H,5,6)(H,7,8)/b;2-1- |
| Isomeric SMILES | C=CCN1CCN(CC1)C2=NC3=CC=CC=C3N=C2C#N.C(=C\C(=O)O)\C(=O)O |
| PubChem CID | 11567402 |
| Molecular Weight | 395.42 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-arylpiperazines |
| Alternative Parents | Quinoxalines Dialkylarylamines Aminopyrazines N-alkylpiperazines Unsaturated fatty acids Imidolactams Dicarboxylic acids and derivatives Benzenoids Heteroaromatic compounds Trialkylamines Nitriles Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Not available |
| Substituents | N-arylpiperazine - Quinoxaline - Dialkylarylamine - Aminopyrazine - N-alkylpiperazine - Dicarboxylic acid or derivatives - Pyrazine - Unsaturated fatty acid - Benzenoid - Imidolactam - Fatty acid - Fatty acyl - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Carboxylic acid - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Amine - Cyanide - Aromatic heteropolycyclic compound |
| Description | 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L2210059 | Certificate of Analysis | Sep 23, 2022 | A287758 |
| L2210060 | Certificate of Analysis | Sep 23, 2022 | A287758 |
| L2210063 | Certificate of Analysis | Sep 23, 2022 | A287758 |
| L2210065 | Certificate of Analysis | Sep 23, 2022 | A287758 |
| L2210066 | Certificate of Analysis | Sep 23, 2022 | A287758 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 39.54, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 395.400 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 395.159 Da |
| Monoisotopic Mass | 395.159 Da |
| Topological Polar Surface Area | 131.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 525.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 2 |
