≥95% 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)OC(=O)NC(CNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)O |
|---|---|
| IUPAC Name | (2S)-3-(2,4-dinitroanilino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid |
| InChIKey | XKHQTCSLBRZQAC-JTQLQIEISA-N |
| INCHI | 1S/C14H18N4O8/c1-14(2,3)26-13(21)16-10(12(19)20)7-15-9-5-4-8(17(22)23)6-11(9)18(24)25/h4-6,10,15H,7H2,1-3H3,(H,16,21)(H,19,20)/t10-/m0/s1 |
| Isomeric SMILES | CC(C)(C)OC(=O)N[C@@H](CNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)O |
| PubChem CID | 51340353 |
| Molecular Weight | 370.3 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Aniline and substituted anilines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dinitroanilines |
| Alternative Parents | Alpha amino acids and derivatives Nitrobenzenes Phenylalkylamines Nitroaromatic compounds Secondary alkylarylamines Carbamate esters Amino acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids Monocarboxylic acids and derivatives Organic salts Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic cations |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Dinitroaniline - Alpha-amino acid or derivatives - Nitrobenzene - Nitroaromatic compound - Phenylalkylamine - Secondary aliphatic/aromatic amine - Carbamic acid ester - Organic nitro compound - Amino acid - Amino acid or derivatives - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Secondary amine - Monocarboxylic acid or derivatives - Organic oxoazanium - Hydrocarbon derivative - Amine - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic salt - Organic cation - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dinitroanilines. These are organic compounds containing an aniline moiety, which is substituted at 2 positions by a nitro group. |
| External Descriptors | Not available |
| Molecular Weight | 370.310 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 7 |
| Exact Mass | 370.112 Da |
| Monoisotopic Mass | 370.112 Da |
| Topological Polar Surface Area | 179.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 551.000 |
| 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 |
