Determine the necessary mass, volume, or concentration for preparing a solution.
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≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
| Pubchem Sid | 504750503 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504750503 |
| Canonical Smiles | C1=CC2=C(C=CC3=C2C(=C1)C(=O)NC3=O)N |
| IUPAC Name | 6-aminobenzo[de]isoquinoline-1,3-dione |
| InChIKey | SSMIFVHARFVINF-UHFFFAOYSA-N |
| INCHI | 1S/C12H8N2O2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14-12(8)16/h1-5H,13H2,(H,14,15,16) |
| Isomeric SMILES | C1=CC2=C(C=CC3=C2C(=C1)C(=O)NC3=O)N |
| Molecular Weight | 212.2 |
| Reaxy-Rn | 177185 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=177185&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 | Organoheterocyclic compounds |
| Class | Isoquinolines and derivatives |
| Subclass | Isoquinolones and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoquinolones and derivatives |
| Alternative Parents | Naphthalenes N-unsubstituted carboxylic acid imides Amino acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isoquinolone - Naphthalene - Benzenoid - Carboxylic acid imide - Carboxylic acid imide, n-unsubstituted - Amino acid or derivatives - Carboxylic acid derivative - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety. |
| External Descriptors | dicarboximide - benzoisoquinoline |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Sep 11, 2025 | A167915 | |
| Certificate of Analysis | Sep 04, 2025 | A167915 | |
| Certificate of Analysis | Sep 04, 2025 | A167915 | |
| Certificate of Analysis | Sep 04, 2025 | A167915 | |
| Certificate of Analysis | Sep 05, 2022 | A167915 |
| Solubility | Soluble in DMSO |
|---|---|
| Melt Point(°C) | >360℃ |
| Molecular Weight | 212.200 g/mol |
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 212.059 Da |
| Monoisotopic Mass | 212.059 Da |
| Topological Polar Surface Area | 72.200 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 342.000 |
| 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 |