≥98%(HPLC) 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 | CC(=O)N(CC1=CC=C(C=C1)F)C2=C(C(=O)C3=CC=CC=C3C2=O)NCC4=CC=CC=C4 |
|---|---|
| IUPAC Name | N-[3-(benzylamino)-1,4-dioxonaphthalen-2-yl]-N-[(4-fluorophenyl)methyl]acetamide |
| InChIKey | COATXBHZYVUJQP-UHFFFAOYSA-N |
| INCHI | 1S/C26H21FN2O3/c1-17(30)29(16-19-11-13-20(27)14-12-19)24-23(28-15-18-7-3-2-4-8-18)25(31)21-9-5-6-10-22(21)26(24)32/h2-14,28H,15-16H2,1H3 |
| Isomeric SMILES | CC(=O)N(CC1=CC=C(C=C1)F)C2=C(C(=O)C3=CC=CC=C3C2=O)NCC4=CC=CC=C4 |
| PubChem CID | 3793001 |
| Molecular Weight | 428.46 |
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 | Naphthoquinones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthoquinones |
| Alternative Parents | Aryl ketones Benzylamines Phenylmethylamines Quinones Fluorobenzenes Aralkylamines Aryl fluorides Acetamides Tertiary carboxylic acid amides Vinylogous amides Amino acids and derivatives Enamines Dialkylamines Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Naphthoquinone - Benzylamine - Aryl ketone - Quinone - Phenylmethylamine - Aralkylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Acetamide - Vinylogous amide - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Ketone - Secondary amine - Enamine - Secondary aliphatic amine - Carboxylic acid derivative - Organooxygen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as naphthoquinones. These are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone). |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L2525077 | Certificate of Analysis | Dec 29, 2025 | R288689 |
| J2514109 | Certificate of Analysis | Oct 24, 2025 | R288689 |
| L2419342 | Certificate of Analysis | Jan 03, 2025 | R288689 |
| K2103055 | Certificate of Analysis | Aug 19, 2024 | R288689 |
| K2103069 | Certificate of Analysis | Aug 19, 2024 | R288689 |
| K2103127 | Certificate of Analysis | Aug 19, 2024 | R288689 |
| K2103128 | Certificate of Analysis | Aug 19, 2024 | R288689 |
| K2103130 | Certificate of Analysis | Aug 19, 2024 | R288689 |
| K2103133 | Certificate of Analysis | Aug 19, 2024 | R288689 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 4.28, Max Conc. mM: 10 |
|---|---|
| Molecular Weight | 428.500 g/mol |
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 428.154 Da |
| Monoisotopic Mass | 428.154 Da |
| Topological Polar Surface Area | 66.500 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 750.000 |
| 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 |
