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 | C1CCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCCCCC(=O)O |
|---|---|
| IUPAC Name | 6-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)hexanoic acid |
| InChIKey | MBIOYMJZOCQPAE-UHFFFAOYSA-N |
| INCHI | 1S/C23H26N2O4/c26-20(27)10-3-1-6-15-25-22(28)17-9-7-8-16-19(24-13-4-2-5-14-24)12-11-18(21(16)17)23(25)29/h7-9,11-12H,1-6,10,13-15H2,(H,26,27) |
| Isómeros SMILES | C1CCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCCCCC(=O)O |
| WGK Alemania | 3 |
| PubChem CID | 2871916 |
| Peso molecular | 394.46 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Isoquinolines and derivatives |
| Subclass | Isoquinolones and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoquinolones and derivatives |
| Alternative Parents | Naphthalenes Medium-chain fatty acids Dialkylarylamines Heterocyclic fatty acids Amino fatty acids Piperidines N-substituted carboxylic acid imides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isoquinolone - Naphthalene - Tertiary aliphatic/aromatic amine - Medium-chain fatty acid - Dialkylarylamine - Amino fatty acid - Heterocyclic fatty acid - Carboxylic acid imide, n-substituted - Piperidine - Benzenoid - Fatty acid - Fatty acyl - Carboxylic acid imide - Tertiary amine - Amino acid - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Amine - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety. |
| External Descriptors | Not available |
| Peso molecular | 394.500 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 394.189 Da |
| Monoisotopic Mass | 394.189 Da |
| Topological Polar Surface Area | 77.900 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 630.000 |
| 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 |
![6-(1,3-Dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)hexanoic acid - CAS No(181373-35-3) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/D/1/D1023599.jpg)