≥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.
| Canonical Smiles | CN(C)CCN1C2=C(C=CC(=C2)N)OC1=O |
|---|---|
| IUPAC Name | 5-amino-3-[2-(dimethylamino)ethyl]-1,3-benzoxazol-2-one |
| InChIKey | SBUXVVDPBKVSSL-UHFFFAOYSA-N |
| INCHI | 1S/C11H15N3O2/c1-13(2)5-6-14-9-7-8(12)3-4-10(9)16-11(14)15/h3-4,7H,5-6,12H2,1-2H3 |
| Molecular Weight | 221.26 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzoxazoles |
| Subclass | Benzoxazolones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoxazolones |
| Alternative Parents | Benzenoids Oxazoles Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzoxazolone - Benzenoid - Azole - Oxazole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Azacycle - Oxacycle - Hydrocarbon derivative - Amine - Primary amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoxazolones. These are organic compounds containing a benzene fused to an oxazole ring (a five-member aliphatic ring with three carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group. |
| External Descriptors | Not available |
| Molecular Weight | 221.260 g/mol |
|---|---|
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 221.116 Da |
| Monoisotopic Mass | 221.116 Da |
| Topological Polar Surface Area | 58.800 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 270.000 |
| 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 |
![5-Amino-3-[2-(dimethylamino)ethyl]-2,3-dihydro-1,3-benzoxazol-2-one - ≥95% , CAS No.174567-46-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)