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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1COC2=C(N1)C(=CN=C2)C#N |
|---|---|
| IUPAC Name | 2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine-8-carbonitrile |
| InChIKey | DVJWNFFEBFNWIU-UHFFFAOYSA-N |
| INCHI | 1S/C8H7N3O/c9-3-6-4-10-5-7-8(6)11-1-2-12-7/h4-5,11H,1-2H2 |
| Isomeric SMILES | C1COC2=C(N1)C(=CN=C2)C#N |
| WGK Germany | 3 |
| PubChem CID | 46318224 |
| Molecular Weight | 161.16 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Amines |
| Intermediate Tree Nodes | Secondary amines |
| Direct Parent | Secondary alkylarylamines |
| Alternative Parents | Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Oxacyclic compounds Nitriles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alkyl aryl ether - Secondary aliphatic/aromatic amine - Pyridine - Heteroaromatic compound - Ether - Carbonitrile - Nitrile - Organoheterocyclic compound - Azacycle - Oxacycle - Organopnictogen compound - Cyanide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as secondary alkylarylamines. These are secondary alkylarylamines with the general formula HN(R)R' (R = alkyl, R' = aryl). |
| External Descriptors | Not available |
| Molecular Weight | 161.160 g/mol |
|---|---|
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 161.059 Da |
| Monoisotopic Mass | 161.059 Da |
| Topological Polar Surface Area | 57.900 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 210.000 |
| 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 |
![2,3-Dihydro-1H-pyrido[3,4-b][1,4]oxazine-8-carbonitrile - CAS No(1228666-02-1) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/D/1/D166618.png)