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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.
| Sonrisas canónicas | C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)C3=CC=CC=C3N |
|---|---|
| IUPAC Name | 2-[3-(2-aminophenyl)-3-oxopropyl]isoindole-1,3-dione |
| InChIKey | RQZRDXVYNVKYRN-UHFFFAOYSA-N |
| INCHI | 1S/C17H14N2O3/c18-14-8-4-3-7-13(14)15(20)9-10-19-16(21)11-5-1-2-6-12(11)17(19)22/h1-8H,9-10,18H2 |
| Isómeros SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)C3=CC=CC=C3N |
| PubChem CID | 42544372 |
| Peso molecular | 294.31 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Clase | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Phthalimides Isoindoles Benzoyl derivatives Aryl alkyl ketones Aniline and substituted anilines N-substituted carboxylic acid imides Vinylogous amides Tertiary amines Amino acids and derivatives Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alkyl-phenylketone - Phthalimide - Isoindolone - Isoindoline - Isoindole - Isoindole or derivatives - Benzoyl - Aniline or substituted anilines - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Vinylogous amide - Tertiary amine - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Amine - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Primary amine - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
| Peso molecular | 294.300 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 294.1 Da |
| Monoisotopic Mass | 294.1 Da |
| Topological Polar Surface Area | 80.500 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 453.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |