≥97% 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 | CN(CC1=NC(=NO1)C2=CC=C(C=C2)C=O)C3CCOCC3.Cl |
|---|---|
| IUPAC Name | 4-[5-[[methyl(oxan-4-yl)amino]methyl]-1,2,4-oxadiazol-3-yl]benzaldehyde;hydrochloride |
| InChIKey | MWJHUVMKUKTPFT-UHFFFAOYSA-N |
| INCHI | 1S/C16H19N3O3.ClH/c1-19(14-6-8-21-9-7-14)10-15-17-16(18-22-15)13-4-2-12(11-20)3-5-13;/h2-5,11,14H,6-10H2,1H3;1H |
| Isomeric SMILES | CN(CC1=NC(=NO1)C2=CC=C(C=C2)C=O)C3CCOCC3.Cl |
| PubChem CID | 46736916 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Oxadiazoles |
| Intermediate Tree Nodes | 1,2,4-oxadiazoles |
| Direct Parent | Phenyloxadiazoles |
| Alternative Parents | Benzoyl derivatives Benzaldehydes Aralkylamines Oxanes Heteroaromatic compounds Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenyl-1,2,4-oxadiazole - Benzaldehyde - Benzoyl - Aryl-aldehyde - Aralkylamine - Monocyclic benzene moiety - Oxane - Benzenoid - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Amine - Aldehyde - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Hydrochloride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenyloxadiazoles. These are polycyclic aromatic compounds containing a benzene ring linked to a 1,2,4-oxadiazole ring through a CC or CN bond. |
| External Descriptors | Not available |
| Molecular Weight | 337.800 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 337.119 Da |
| Monoisotopic Mass | 337.119 Da |
| Topological Polar Surface Area | 68.500 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 355.000 |
| 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 |
![4-(5-{[methyl(tetrahydro-2H-pyran-4-yl)amino]methyl}-1,2,4-oxadiazol-3-yl)benzaldehyde hydrochloride - ≥97% , CAS No.1185294-57-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)