≥95% 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 | CC(C)C(C(=O)O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 3-methyl-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)butanoic acid |
| InChIKey | FKLHANAHRWAYTA-UHFFFAOYSA-N |
| INCHI | 1S/C15H21N3O7S/c1-10(2)14(15(19)20)16-12-4-3-11(9-13(12)18(21)22)26(23,24)17-5-7-25-8-6-17/h3-4,9-10,14,16H,5-8H2,1-2H3,(H,19,20) |
| Molecular Weight | 387.400 |
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 | Valine and derivatives |
| Alternative Parents | Aminobenzenesulfonamides Alpha amino acids Benzenesulfonyl compounds Nitrobenzenes Phenylalkylamines Aniline and substituted anilines Nitroaromatic compounds Secondary alkylarylamines Organosulfonamides Morpholines Sulfonyls Amino acids Organic oxoazanium compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Azacyclic compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic cations |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Valine or derivatives - Aminobenzenesulfonamide - Alpha-amino acid - Benzenesulfonamide - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Morpholine - Oxazinane - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organic nitro compound - C-nitro compound - Amino acid - Organic 1,3-dipolar compound - Azacycle - Oxacycle - Organoheterocyclic compound - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Secondary amine - Organic oxide - Carbonyl group - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic cation - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | Not available |
| Molecular Weight | 387.400 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 6 |
| Exact Mass | 387.11 Da |
| Monoisotopic Mass | 387.11 Da |
| Topological Polar Surface Area | 150.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 608.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![3-Methyl-2-{[4-(morpholine-4-sulfonyl)-2-nitrophenyl]amino}butanoic acid - ≥95% , CAS No.1009549-98-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)