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≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
| Sonrisas canónicas | CC1=CC=C(C=C1)S(=O)(=O)NCC2(CCCCC2)CC(=O)O |
|---|---|
| IUPAC Name | 2-[1-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexyl]acetic acid |
| InChIKey | CNTJKVYUZPNHKF-UHFFFAOYSA-N |
| INCHI | 1S/C16H23NO4S/c1-13-5-7-14(8-6-13)22(20,21)17-12-16(11-15(18)19)9-3-2-4-10-16/h5-8,17H,2-4,9-12H2,1H3,(H,18,19) |
| Isómeros SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCC2(CCCCC2)CC(=O)O |
| CAS alternativo | 7232-06-6 |
| PubChem CID | 5248230 |
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 |
| Clase | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives |
| Direct Parent | Gamma amino acids and derivatives |
| Alternative Parents | P-toluenesulfonamides Benzenesulfonamides Benzenesulfonyl compounds Organosulfonamides Aminosulfonyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Gamma amino acid or derivatives - P-toluenesulfonamide - Benzenesulfonamide - Tosyl compound - Benzenesulfonyl group - Toluene - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom. |
| External Descriptors | Not available |
| Peso molecular | 325.400 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 325.135 Da |
| Monoisotopic Mass | 325.135 Da |
| Topological Polar Surface Area | 91.900 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 469.000 |
| 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 |