≥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 | C1CC(N(C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O |
|---|---|
| IUPAC Name | (2S)-1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylic acid |
| InChIKey | MVZXUWLTGGBNHL-VIFPVBQESA-N |
| INCHI | 1S/C11H11N3O6/c15-11(16)9-2-1-5-12(9)8-4-3-7(13(17)18)6-10(8)14(19)20/h3-4,6,9H,1-2,5H2,(H,15,16)/t9-/m0/s1 |
| Isomeric SMILES | C1C[C@H](N(C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O |
| Molecular Weight | 281.22 |
| Reaxy-Rn | 93596 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=93596&ln= |
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 | 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 | Proline and derivatives |
| Alternative Parents | Dinitroanilines Phenylpyrrolidines L-alpha-amino acids Nitrobenzenes Dialkylarylamines Pyrrolidine carboxylic acids Nitroaromatic compounds Pyrroles Amino acids Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Dinitroaniline - Proline or derivatives - 1-phenylpyrrolidine - Alpha-amino acid - L-alpha-amino acid - Nitrobenzene - Tertiary aliphatic/aromatic amine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Dialkylarylamine - Aniline or substituted anilines - Nitroaromatic compound - Benzenoid - Monocyclic benzene moiety - Pyrrolidine - Pyrrole - Tertiary amine - Organic nitro compound - C-nitro compound - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Organopnictogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | C-nitro compound - non-proteinogenic L-alpha-amino acid - pyrrolidines - L-proline derivative |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2325448 | Certificate of Analysis | Sep 06, 2023 | N159258 |
| I2325449 | Certificate of Analysis | Sep 06, 2023 | N159258 |
| I2325489 | Certificate of Analysis | Sep 06, 2023 | N159258 |
| I2325490 | Certificate of Analysis | Sep 06, 2023 | N159258 |
| Solubility | Soluble in Ethanol |
|---|---|
| Specific Rotation[α] | -682.5° (C=0.5,AcOH) |
| Melt Point(°C) | 140 °C |
| Molecular Weight | 281.220 g/mol |
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 281.065 Da |
| Monoisotopic Mass | 281.065 Da |
| Topological Polar Surface Area | 132.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 417.000 |
| 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 |
