Determine the necessary mass, volume, or concentration for preparing a solution.
≥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 | CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N(C)C |
|---|---|
| IUPAC Name | (2S)-2-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylamino]-3-methylbutanoic acid |
| InChIKey | AJSKPBGSGLIRQK-SFHVURJKSA-N |
| INCHI | 1S/C19H24N4O4S/c1-13(2)18(19(24)25)22-28(26,27)17-11-7-15(8-12-17)21-20-14-5-9-16(10-6-14)23(3)4/h5-13,18,22H,1-4H3,(H,24,25)/t18-/m0/s1 |
| Isomeric SMILES | CC(C)[C@@H](C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N(C)C |
| PubChem CID | 14048723 |
| Molecular Weight | 404.49 |
| Reaxy-Rn | 3074345 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azobenzenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Azobenzenes |
| Alternative Parents | Valine and derivatives Benzenesulfonamides Benzenesulfonyl compounds Aniline and substituted anilines Dialkylarylamines Organosulfonamides Aminosulfonyl compounds Azo compounds Amino acids Monocarboxylic acids and derivatives Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Azobenzene - Valine or derivatives - Alpha-amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Tertiary amine - Amino acid - Amino acid or derivatives - Azo compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as azobenzenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to a benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 404.500 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 8 |
| Exact Mass | 404.152 Da |
| Monoisotopic Mass | 404.152 Da |
| Topological Polar Surface Area | 120.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 629.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |