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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 | C1C(OC(=O)N1C2=CC=CC=C2)CN.Cl |
|---|---|
| IUPAC Name | 5-(aminomethyl)-3-phenyl-1,3-oxazolidin-2-one;hydrochloride |
| InChIKey | ZNDXECFYUAOJNS-UHFFFAOYSA-N |
| INCHI | 1S/C10H12N2O2.ClH/c11-6-9-7-12(10(13)14-9)8-4-2-1-3-5-8;/h1-5,9H,6-7,11H2;1H |
| Isomeric SMILES | C1C(OC(=O)N1C2=CC=CC=C2)CN.Cl |
| PubChem CID | 71779049 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azolidines |
| Subclass | Oxazolidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Oxazolidinones |
| Alternative Parents | Benzene and substituted derivatives Carbamate esters Oxacyclic compounds Azacyclic compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Monocyclic benzene moiety - Oxazolidinone - Benzenoid - Carbamic acid ester - Azacycle - Oxacycle - Hydrochloride - Hydrocarbon derivative - Organic oxide - Primary amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as oxazolidinones. These are compounds containing an oxazolidinone moiety, which is an oxazolidine bearing a ketone group. |
| External Descriptors | Not available |
| Molecular Weight | 228.670 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 228.067 Da |
| Monoisotopic Mass | 228.067 Da |
| Topological Polar Surface Area | 55.600 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 214.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |