≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2CCCCCC2 |
|---|---|
| IUPAC Name | ethyl 2-[[2-(azepan-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate |
| InChIKey | LBESGTFNUNIHPP-UHFFFAOYSA-N |
| INCHI | 1S/C17H26N2O3S/c1-4-22-17(21)15-12(2)13(3)23-16(15)18-14(20)11-19-9-7-5-6-8-10-19/h4-11H2,1-3H3,(H,18,20) |
| Molecular Weight | 338.500 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acid amides |
| Alternative Parents | Thiophene carboxylic acids and derivatives N-arylamides Azepanes Vinylogous amides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alpha-amino acid amide - Thiophene carboxylic acid or derivatives - N-arylamide - Azepane - Thiophene - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids. |
| External Descriptors | Not available |
| Molecular Weight | 338.500 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 338.166 Da |
| Monoisotopic Mass | 338.166 Da |
| Topological Polar Surface Area | 86.900 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 411.000 |
| 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 |
![Ethyl 2-[(azepan-1-ylacetyl)amino]-4,5-dimethylthiophene-3-carboxylate - ≥98% , CAS No.296266-53-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)