Determine the necessary mass, volume, or concentration for preparing a solution.
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for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged 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.
Shipped at Room Temperature. Store at Room Temperature.
| Canonical Smiles | C1=CC=C(C=C1)NC2=C(C=C3C(=C2)C(=O)NC3=O)NC4=CC=CC=C4 |
|---|---|
| IUPAC Name | 5,6-dianilinoisoindole-1,3-dione |
| InChIKey | AAALVYBICLMAMA-UHFFFAOYSA-N |
| INCHI | 1S/C20H15N3O2/c24-19-15-11-17(21-13-7-3-1-4-8-13)18(12-16(15)20(25)23-19)22-14-9-5-2-6-10-14/h1-12,21-22H,(H,23,24,25) |
| Isomeric SMILES | C1=CC=C(C=C1)NC2=C(C=C3C(=C2)C(=O)NC3=O)NC4=CC=CC=C4 |
| WGK Germany | 3 |
| Molecular Weight | 329.35 |
| Reaxy-Rn | 6818620 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6818620&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.
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| Solubility | Soluble in DMSO to 100 mM and in ethanol to 25 mM |
|---|---|
| Molecular Weight | 329.400 g/mol |
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 329.116 Da |
| Monoisotopic Mass | 329.116 Da |
| Topological Polar Surface Area | 70.200 Ų |
| Heavy Atom Count | 25 |
| 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 |