≥95% 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.
| Canonical Smiles | CC(C)(C)C(=O)N1CCOC2=C1C=C(C=C2)N |
|---|---|
| IUPAC Name | 1-(6-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-2,2-dimethylpropan-1-one |
| InChIKey | SOXZPKHZFLAKRK-UHFFFAOYSA-N |
| INCHI | 1S/C13H18N2O2/c1-13(2,3)12(16)15-6-7-17-11-5-4-9(14)8-10(11)15/h4-5,8H,6-7,14H2,1-3H3 |
| Isomeric SMILES | CC(C)(C)C(=O)N1CCOC2=C1C=C(C=C2)N |
| PubChem CID | 45791785 |
| Molecular Weight | 234.29 |
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 |
| Class | Benzoxazines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoxazines |
| Alternative Parents | Benzomorpholines Alkyl aryl ethers Benzenoids Tertiary carboxylic acid amides Tertiary amines Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzomorpholine - Benzoxazine - Alkyl aryl ether - Oxazinane - Benzenoid - Tertiary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Carboxamide group - Azacycle - Oxacycle - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Primary amine - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoxazines. These are organic compounds containing a benzene fused to an oxazine ring (a six-membered aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom). |
| External Descriptors | Not available |
| Molecular Weight | 234.290 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 234.137 Da |
| Monoisotopic Mass | 234.137 Da |
| Topological Polar Surface Area | 55.600 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 298.000 |
| 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 |
