≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | CC1(OC(=O)C(=CNC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O1)C |
|---|---|
| IUPAC Name | 2,2-dimethyl-5-[(4-phenylmethoxyanilino)methylidene]-1,3-dioxane-4,6-dione |
| InChIKey | SCESXTXRALBVDU-UHFFFAOYSA-N |
| INCHI | 1S/C20H19NO5/c1-20(2)25-18(22)17(19(23)26-20)12-21-15-8-10-16(11-9-15)24-13-14-6-4-3-5-7-14/h3-12,21H,13H2,1-2H3 |
| Molecular Weight | 353.4 |
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 |
| Class | Phenol ethers |
| Subclass | Aminophenyl ethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aminophenyl ethers |
| Alternative Parents | Phenoxy compounds Aniline and substituted anilines Alkyl aryl ethers Ketals 1,3-dioxanes Dicarboxylic acids and derivatives Vinylogous amides Enoate esters Lactones Amino acids and derivatives Secondary amines Oxacyclic compounds Allylamines Enamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aminophenyl ether - Phenoxy compound - Aniline or substituted anilines - Alkyl aryl ether - Ketal - Meta-dioxane - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Enoate ester - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Amino acid or derivatives - Carboxylic acid ester - Lactone - Acetal - Carboxylic acid derivative - Allylamine - Enamine - Ether - Oxacycle - Secondary amine - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine group on the benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 353.400 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 353.126 Da |
| Monoisotopic Mass | 353.126 Da |
| Topological Polar Surface Area | 73.900 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 520.000 |
| 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 |
