≥98% 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.
| Pubchem Sid | 504767612 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504767612 |
| Canonical Smiles | C1CCC2=NCCCN2CC1.C1=CC=C2C(=C1)C(=O)NC2=O |
| IUPAC Name | isoindole-1,3-dione;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine |
| InChIKey | BLFUSYFCQXDQCF-UHFFFAOYSA-N |
| INCHI | 1S/C9H16N2.C8H5NO2/c1-2-5-9-10-6-4-8-11(9)7-3-1;10-7-5-3-1-2-4-6(5)8(11)9-7/h1-8H2;1-4H,(H,9,10,11) |
| Isomeric SMILES | C1CCC2=NCCCN2CC1.C1=CC=C2C(=C1)C(=O)NC2=O |
| PubChem CID | 14331607 |
| Molecular Weight | 299.37 |
| Reaxy-Rn | 4343711 |
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 | Isoindoles and derivatives |
| Subclass | Isoindolines |
| Intermediate Tree Nodes | Isoindolones |
| Direct Parent | Phthalimides |
| Alternative Parents | Isoindoles Azepanes Imidolactams Hydropyrimidines Benzenoids N-unsubstituted carboxylic acid imides Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxamidines Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Amines |
| Molecular Framework | Not available |
| Substituents | Phthalimide - Isoindole - Azepane - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Imidolactam - Benzenoid - Carboxylic acid imide - Carboxylic acid imide, n-unsubstituted - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E1718033 | Certificate of Analysis | Jan 08, 2025 | P160744 |
| D2403450 | Certificate of Analysis | Mar 13, 2024 | P160744 |
| D2403451 | Certificate of Analysis | Mar 13, 2024 | P160744 |
| D2403452 | Certificate of Analysis | Mar 13, 2024 | P160744 |
| D2403453 | Certificate of Analysis | Mar 13, 2024 | P160744 |
| D2403454 | Certificate of Analysis | Mar 13, 2024 | P160744 |
| D2403455 | Certificate of Analysis | Mar 13, 2024 | P160744 |
| Sensitivity | Hygroscopic |
|---|---|
| Melt Point(°C) | 142 °C |
| Molecular Weight | 299.370 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 299.163 Da |
| Monoisotopic Mass | 299.163 Da |
| Topological Polar Surface Area | 61.800 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 353.000 |
| 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 | 2 |
