≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 | C1COCCC1C(=O)NC2=C(C=CC(=C2)C3=CC=C(C=C3)F)N |
|---|---|
| IUPAC Name | N-[2-amino-5-(4-fluorophenyl)phenyl]oxane-4-carboxamide |
| InChIKey | ZFCDNONWGMYBHA-UHFFFAOYSA-N |
| INCHI | 1S/C18H19FN2O2/c19-15-4-1-12(2-5-15)14-3-6-16(20)17(11-14)21-18(22)13-7-9-23-10-8-13/h1-6,11,13H,7-10,20H2,(H,21,22) |
| Molecular Weight | 314.400 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Biphenyls and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Biphenyls and derivatives |
| Alternative Parents | 2'-Aminoanilides N-arylamides Aniline and substituted anilines Fluorobenzenes Oxanes Aryl fluorides Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Primary amines Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Biphenyl - 2'-aminoanilide - Anilide - Aniline or substituted anilines - N-arylamide - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Oxane - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - Amine - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond. |
| External Descriptors | Not available |
| Molecular Weight | 314.400 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 314.143 Da |
| Monoisotopic Mass | 314.143 Da |
| Topological Polar Surface Area | 64.400 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 392.000 |
| 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 |
![N-(4-Amino-4'-Fluoro[1,1'-Biphenyl]-3-Yl)oxane-4-Carboxamide - ≥99% CAS No(1404559-91-6) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/N/9/N993671.jpg)