≥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.
| Sonrisas canónicas | C1COC2=C(N1)C=C(C=C2)C#N.Cl |
|---|---|
| IUPAC Name | 3,4-dihydro-2H-1,4-benzoxazine-6-carbonitrile;hydrochloride |
| InChIKey | OTEGOCOEGANXSZ-UHFFFAOYSA-N |
| INCHI | 1S/C9H8N2O.ClH/c10-6-7-1-2-9-8(5-7)11-3-4-12-9;/h1-2,5,11H,3-4H2;1H |
| Isómeros SMILES | C1COC2=C(N1)C=C(C=C2)C#N.Cl |
| CAS alternativo | 1314984-94-5 |
| PubChem CID | 53302185 |
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 | Benzoxazines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoxazines |
| Alternative Parents | Benzomorpholines Secondary alkylarylamines Alkyl aryl ethers Benzenoids Oxacyclic compounds Nitriles Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzomorpholine - Benzoxazine - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Oxazinane - Benzenoid - Ether - Carbonitrile - Nitrile - Secondary amine - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Amine - Cyanide - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Hydrochloride - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | 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 |
| Peso molecular | 196.630 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 196.04 Da |
| Monoisotopic Mass | 196.04 Da |
| Topological Polar Surface Area | 45.100 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 208.000 |
| 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 | 2 |
![3,4-Dihydro-2H-benzo[b][1,4]oxazine-6-carbonitrile hydrochloride - ≥95% , CAS No.1314984-94-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)