≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
| Sonrisas canónicas | CCCC(=O)NC1=C(C=C(C=C1C)C(=O)OC)[N+](=O)[O-] |
|---|---|
| IUPAC Name | methyl 4-(butanoylamino)-3-methyl-5-nitrobenzoate |
| InChIKey | IGCBUUTXGYCQAI-UHFFFAOYSA-N |
| INCHI | 1S/C13H16N2O5/c1-4-5-11(16)14-12-8(2)6-9(13(17)20-3)7-10(12)15(18)19/h6-7H,4-5H2,1-3H3,(H,14,16) |
| Isómeros SMILES | CCCC(=O)NC1=C(C=C(C=C1C)C(=O)OC)[N+](=O)[O-] |
| CAS alternativo | 152628-01-8 |
| PubChem CID | 9795680 |
| Peso molecular | 280.28 |
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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Acylaminobenzoic acid and derivatives |
| Alternative Parents | Nitrobenzoic acids and derivatives Benzoic acid esters Anilides Nitrobenzenes Nitrotoluenes Benzoyl derivatives N-arylamides Nitroaromatic compounds Fatty amides Methyl esters Secondary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Organic oxides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Acylaminobenzoic acid or derivatives - Nitrobenzoate - Benzoate ester - Nitrobenzene - Anilide - Nitrotoluene - Benzoyl - Nitroaromatic compound - N-arylamide - Toluene - Fatty acyl - Fatty amide - Methyl ester - Organic nitro compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organic salt - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 K2512411 | Certificate of Analysis | Sep 16, 2025 | M710313 |
| K2512412 | Certificate of Analysis | Sep 16, 2025 | M710313 |
| K2512413 | Certificate of Analysis | Sep 16, 2025 | M710313 |
| K2512422 | Certificate of Analysis | Sep 16, 2025 | M710313 |
| Peso molecular | 280.280 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 280.106 Da |
| Monoisotopic Mass | 280.106 Da |
| Topological Polar Surface Area | 101.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 379.000 |
| 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 |
