ChemDiv1_000618
2-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)ethyl 3,5-dinitrobenzoate
Also Known As: ChemDiv1_000618|HMS588M02|F0018-0469|2-(1,3-dioxo-6-(piperidin-1-yl)-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl 3,5-dinitrobenzoate|2-[2,4-dioxo-8-(piperidin-1-yl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-3-yl]ethyl 3,5-dinitrobenzoate|2-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)ethyl 3,5-dinitrobenzoate
CAS: 326017-91-8
| Molecular Formula | C26H22N4O8 |
|---|---|
| Molecular Weight | 518.14374 g/mol |
| LogP | 4.0995 |
| Topological Polar Surface Area | 153.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 518.14374 |
| Monoisotopic Mass | 518.14374 |
| Heavy Atoms | 38 |
| Complexity | 1458.1141 |
Chemical Identifiers
| CAS Number | 326017-91-8 |
|---|---|
| SMILES | C1CCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCOC(=O)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
ChemDiv1_000618 (CAS 326017-91-8), with molecular formula C26H22N4O8 and molecular weight 518.14374 g/mol. IUPAC: 2-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)ethyl 3,5-dinitrobenzoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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