≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C 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.
| Canonical Smiles | C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=C(C=C3)C#N)O |
|---|---|
| IUPAC Name | N-(4-cyanophenyl)-3-hydroxynaphthalene-2-carboxamide |
| InChIKey | DRBIYQSSEMTUJQ-UHFFFAOYSA-N |
| INCHI | 1S/C18H12N2O2/c19-11-12-5-7-15(8-6-12)20-18(22)16-9-13-3-1-2-4-14(13)10-17(16)21/h1-10,21H,(H,20,22) |
| Isomeric SMILES | C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=C(C=C3)C#N)O |
| PubChem CID | 14978997 |
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 | Benzenoids |
| Class | Naphthalenes |
| Subclass | Naphthalenecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Naphthalenecarboxamides |
| Direct Parent | Naphthalene-2-carboxanilides |
| Alternative Parents | Aromatic anilides Naphthols and derivatives Salicylic acid and derivatives Benzonitriles 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Secondary carboxylic acid amides Nitriles Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Naphthalene-2-carboxanilide - Aromatic anilide - 2-naphthol - Salicylic acid or derivatives - Benzonitrile - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Vinylogous acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic oxide - Cyanide - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as naphthalene-2-carboxanilides. These are naphthalene-2-carboxamides, where the carboxamide group is substituted with an aniline. |
| External Descriptors | Not available |
| Molecular Weight | 288.300 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 288.09 Da |
| Monoisotopic Mass | 288.09 Da |
| Topological Polar Surface Area | 73.100 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 447.000 |
| 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 |
