≥98%(HPLC)(T) 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 | CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)NCCCCCC(=O)O |
|---|---|
| IUPAC Name | 6-[[4-(dimethylsulfamoyl)-2,1,3-benzoxadiazol-7-yl]amino]hexanoic acid |
| InChIKey | ODEWENLZBOAUCF-UHFFFAOYSA-N |
| INCHI | 1S/C14H20N4O5S/c1-18(2)24(21,22)11-8-7-10(13-14(11)17-23-16-13)15-9-5-3-4-6-12(19)20/h7-8,15H,3-6,9H2,1-2H3,(H,19,20) |
| Isomeric SMILES | CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)NCCCCCC(=O)O |
| PubChem CID | 44629791 |
| Molecular Weight | 356.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzoxadiazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoxadiazoles |
| Alternative Parents | Medium-chain fatty acids Secondary alkylarylamines Amino fatty acids Heterocyclic fatty acids Organosulfonamides Benzenoids Aminosulfonyl compounds Furazans Heteroaromatic compounds Amino acids Oxacyclic compounds Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzoxadiazole - Medium-chain fatty acid - Secondary aliphatic/aromatic amine - Amino fatty acid - Heterocyclic fatty acid - Organosulfonic acid amide - Benzenoid - Fatty acid - Fatty acyl - Organic sulfonic acid or derivatives - Oxadiazole - Aminosulfonyl compound - Azole - Sulfonyl - Organosulfonic acid or derivatives - Furazan - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoxadiazoles. These are organic compounds containing a benzene fused to an oxadiazole ring (a five-membered ring with two carbon atoms, one nitrogen atom, and one oxygen atom). |
| External Descriptors | Not available |
| Solubility | Soluble in Tetrahydrofuran |
|---|---|
| Melt Point(°C) | 154 °C |
| Molecular Weight | 356.400 g/mol |
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 9 |
| Exact Mass | 356.115 Da |
| Monoisotopic Mass | 356.115 Da |
| Topological Polar Surface Area | 134.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 522.000 |
| 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 |
![6-[[7-(N,N-Dimethylaminosulfonyl)-2,1,3-benzoxadiazol-4-yl]amino]hexanoic Acid - ≥98%(HPLC)(T) CAS No(1820741-40-9) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/N/4/N404843.png)