≥98% 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 | CN1C2=CC=CC=C2OCC(C1=O)N |
|---|---|
| IUPAC Name | (3S)-3-amino-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one |
| InChIKey | WGQRJYAYYNVCJS-ZETCQYMHSA-N |
| INCHI | 1S/C10H12N2O2/c1-12-8-4-2-3-5-9(8)14-6-7(11)10(12)13/h2-5,7H,6,11H2,1H3/t7-/m0/s1 |
| Isómeros SMILES | CN1C2=CC=CC=C2OC[C@@H](C1=O)N |
| PubChem CID | 57471845 |
| Peso molecular | 192.21 |
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 | Organoheterocyclic compounds |
| Clase | Benzoxazepines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoxazepines |
| Alternative Parents | Alpha amino acids and derivatives Alkyl aryl ethers Benzenoids Tertiary carboxylic acid amides Tertiary amines Lactams Oxacyclic compounds Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzoxazepine - Alpha-amino acid or derivatives - Alkyl aryl ether - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Carboxamide group - Lactam - Oxacycle - Azacycle - Carboxylic acid derivative - Ether - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzoxazepines. These are organic compounds containing a benzene fused to an oxazepine ring (a seven-membered ring with four carbon atoms, one oxygen atom, and a nitrogen atom). |
| External Descriptors | Not available |
| Peso molecular | 192.210 g/mol |
|---|---|
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 192.09 Da |
| Monoisotopic Mass | 192.09 Da |
| Topological Polar Surface Area | 55.600 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 232.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
