≥98% 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 | C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)CCCC(=O)O |
|---|---|
| IUPAC Name | 5-[4-(azepane-1-carbonyl)anilino]-5-oxopentanoic acid |
| InChIKey | ZRZCMDUNVSKCAE-UHFFFAOYSA-N |
| INCHI | 1S/C18H24N2O4/c21-16(6-5-7-17(22)23)19-15-10-8-14(9-11-15)18(24)20-12-3-1-2-4-13-20/h8-11H,1-7,12-13H2,(H,19,21)(H,22,23) |
| Molecular Weight | 332.4 |
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 | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Acylaminobenzoic acid and derivatives |
| Alternative Parents | Benzamides Anilides N-arylamides Benzoyl derivatives Azepanes Fatty amides Tertiary carboxylic acid amides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Acylaminobenzoic acid or derivatives - Benzamide - Anilide - Benzoyl - N-arylamide - Azepane - Fatty amide - Fatty acyl - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated. |
| External Descriptors | Not available |
| Molecular Weight | 332.400 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 332.174 Da |
| Monoisotopic Mass | 332.174 Da |
| Topological Polar Surface Area | 86.700 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 436.000 |
| 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-[4-(1-Azepanylcarbonyl)anilino]-5-oxopentanoic acid - ≥98% , CAS No.940511-63-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)