≥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.
| Sonrisas canónicas | CC1=CC(=CC=C1)NCN2C(=O)C3C4C=CC(C3C2=O)C5C4C5 |
|---|---|
| IUPAC Name | 4-[(3-methylanilino)methyl]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione |
| InChIKey | IVAWDFYOOSCURA-UHFFFAOYSA-N |
| INCHI | 1S/C19H20N2O2/c1-10-3-2-4-11(7-10)20-9-21-18(22)16-12-5-6-13(15-8-14(12)15)17(16)19(21)23/h2-7,12-17,20H,8-9H2,1H3 |
| Isómeros SMILES | CC1=CC(=CC=C1)NCN2C(=O)C3C4C=CC(C3C2=O)C5C4C5 |
| PubChem CID | 3256693 |
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 | Organoheterocyclic compounds |
| Clase | Isoindoles and derivatives |
| Subclass | Isoindolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoindolones |
| Alternative Parents | Phenylalkylamines Toluenes Pyrrolidine-2-ones N-substituted carboxylic acid imides N-alkylpyrrolidines Dicarboximides Lactams Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isoindolone - Phenylalkylamine - Toluene - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - Benzenoid - N-alkylpyrrolidine - Carboxylic acid imide - Dicarboximide - Pyrrolidine - Lactam - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Descripción | 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 |
| Peso molecular | 308.400 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 308.152 Da |
| Monoisotopic Mass | 308.152 Da |
| Topological Polar Surface Area | 49.400 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 550.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 6 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![2-{[(3-methylphenyl)amino]methyl}hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione - ≥95% , CAS No.1005095-15-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)