≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged Ships Wet ice 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 | C1COCC(=O)N1C2=CC=C(C=C2)NCC(CNC(=O)C3=CC=C(S3)Cl)O |
|---|---|
| IUPAC Name | 5-chloro-N-[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide |
| InChIKey | OKMRQXXUAFSBCM-CQSZACIVSA-N |
| INCHI | 1S/C18H20ClN3O4S/c19-16-6-5-15(27-16)18(25)21-10-14(23)9-20-12-1-3-13(4-2-12)22-7-8-26-11-17(22)24/h1-6,14,20,23H,7-11H2,(H,21,25)/t14-/m1/s1 |
| Isomeric SMILES | C1COCC(=O)N1C2=CC=C(C=C2)NC[C@H](CNC(=O)C3=CC=C(S3)Cl)O |
| PubChem CID | 10001574 |
| Molecular Weight | 409.9 |
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 |
| Class | Oxazinanes |
| Subclass | Morpholines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylmorpholines |
| Alternative Parents | Thiophene carboxamides 2-heteroaryl carboxamides Aniline and substituted anilines Phenylalkylamines 2,5-disubstituted thiophenes Secondary alkylarylamines Aryl chlorides Heteroaromatic compounds Tertiary carboxylic acid amides Lactams 1,2-aminoalcohols Secondary alcohols Amino acids and derivatives Secondary carboxylic acid amides Dialkyl ethers Azacyclic compounds Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylmorpholine - 2-heteroaryl carboxamide - Phenylalkylamine - Aniline or substituted anilines - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Secondary aliphatic/aromatic amine - 2,5-disubstituted thiophene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiophene - 1,2-aminoalcohol - Amino acid or derivatives - Carboxamide group - Lactam - Secondary alcohol - Secondary carboxylic acid amide - Azacycle - Secondary amine - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organooxygen compound - Alcohol - Organohalogen compound - Amine - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond. |
| External Descriptors | Not available |
| Molecular Weight | 409.900 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 409.086 Da |
| Monoisotopic Mass | 409.086 Da |
| Topological Polar Surface Area | 119.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 519.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
