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≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1COCCN1C2=CC=C(C=C2)C=C3C(=O)NC(=O)NC3=O |
|---|---|
| IUPAC Name | 5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione |
| InChIKey | SQEVUYLZKJPAGZ-UHFFFAOYSA-N |
| INCHI | 1S/C15H15N3O4/c19-13-12(14(20)17-15(21)16-13)9-10-1-3-11(4-2-10)18-5-7-22-8-6-18/h1-4,9H,5-8H2,(H2,16,17,19,20,21) |
| Molecular Weight | 301.3 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Oxazinanes |
| Subclass | Morpholines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylmorpholines |
| Alternative Parents | Barbituric acid derivatives Dialkylarylamines Aniline and substituted anilines N-acyl ureas Diazinanes Dicarboximides Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylmorpholine - Barbiturate - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - N-acyl urea - Pyrimidone - Ureide - Monocyclic benzene moiety - 1,3-diazinane - Pyrimidine - Benzenoid - Dicarboximide - Tertiary amine - Urea - Amino acid or derivatives - Carbonic acid derivative - Azacycle - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Carbonyl group - Amine - Organic oxide - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond. |
| External Descriptors | Not available |
| Molecular Weight | 301.300 g/mol |
|---|---|
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 301.106 Da |
| Monoisotopic Mass | 301.106 Da |
| Topological Polar Surface Area | 87.700 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 481.000 |
| 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 |