≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CC(=O)NC1=CC(=C(C=C1)O)C(=O)C=CN(C)C |
|---|---|
| IUPAC Name | N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-4-hydroxyphenyl]acetamide |
| InChIKey | AGGMFSFGXUUSRA-VOTSOKGWSA-N |
| INCHI | 1S/C13H16N2O3/c1-9(16)14-10-4-5-12(17)11(8-10)13(18)6-7-15(2)3/h4-8,17H,1-3H3,(H,14,16)/b7-6+ |
| Isómeros SMILES | CC(=O)NC1=CC(=C(C=C1)O)C(=O)/C=C/N(C)C |
| PubChem CID | 15571543 |
| Peso molecular | 248.282 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Acetanilides |
| Alternative Parents | N-acetylarylamines Aryl ketones Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous amides Vinylogous acids Acetamides Acryloyl compounds Enones Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Allylamines Enamines Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Acetanilide - N-acetylarylamine - Benzoyl - Aryl ketone - N-arylamide - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Acryloyl-group - Enone - Acetamide - Vinylogous amide - Vinylogous acid - Alpha,beta-unsaturated ketone - Amino acid or derivatives - Carboxamide group - Ketone - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Allylamine - Enamine - Carboxylic acid derivative - Organic nitrogen compound - Amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as acetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group. |
| External Descriptors | Not available |
| Peso molecular | 248.280 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 248.116 Da |
| Monoisotopic Mass | 248.116 Da |
| Topological Polar Surface Area | 69.600 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 339.000 |
| 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 | 1 |
![N-{3-[(2E)-3-(dimethylamino)prop-2-enoyl]-4-hydroxyphenyl}acetamide - ≥97% , CAS No.77695-59-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)