≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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(=O)NC(=O)C1N2CC3=C(C2=O)C=C(C=C3)N |
|---|---|
| IUPAC Name | 3-(5-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione |
| InChIKey | LAGNQECGHYBSCQ-UHFFFAOYSA-N |
| INCHI | 1S/C13H13N3O3/c14-8-2-1-7-6-16(13(19)9(7)5-8)10-3-4-11(17)15-12(10)18/h1-2,5,10H,3-4,6,14H2,(H,15,17,18) |
| Isomeric SMILES | C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=C(C=C3)N |
| Alternate CAS | 191732-74-8 |
| PubChem CID | 10149258 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Isoindoles and derivatives |
| Subclass | Isoindolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoindolones |
| Alternative Parents | Alpha amino acids and derivatives Isoindoles Piperidinediones Delta lactams Benzenoids Tertiary carboxylic acid amides N-unsubstituted carboxylic acid imides Dicarboximides Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid or derivatives - Isoindolone - Isoindole - Piperidinedione - Delta-lactam - Piperidinone - Benzenoid - Piperidine - Carboxylic acid imide - Tertiary carboxylic acid amide - Dicarboximide - Carboxylic acid imide, n-unsubstituted - Amino acid or derivatives - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Primary amine - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone. |
| External Descriptors | Not available |
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| Molecular Weight | 259.260 g/mol |
|---|---|
| XLogP3 | -0.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 259.096 Da |
| Monoisotopic Mass | 259.096 Da |
| Topological Polar Surface Area | 92.500 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 437.000 |
| 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 |
