HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 6139540Generated: November 4, 2026
4-[4-(Benzyloxy)-2-methylbenzoyl]-3-hydroxy-1-[2-(4-morpholinyl)ethyl]-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
SALOR-INT L431095-1EA · 4-(4-(benzyloxy)-2-methylbenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one · 4-[4-(BENZYLOXY)-2-METHYLBENZOYL]-3-HYDROXY-1-[2-(4-MORPHOLINYL)ETHYL]-5-(3-NITROPHENYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE · 2H-Pyrrol-2-one, 1,5-dihydro-3-hydroxy-4-[2-methyl-4-(phenylmethoxy)benzoyl]-1-[2-(4-morpholinyl)ethyl]-5-(3-nitrophenyl)-
https://huagongshe.com/en/chemical/6139540
Identifiers & Physical Properties
| CAS No. | 488134-69-6 |
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| Molecular formula | C31H31N3O7 |
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| Average molar mass | 557.6 g/mol |
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| Monoisotopic mass | 557.21620034 g/mol |
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| SMILES | Cc1cc(OCc2ccccc2)ccc1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)C1c1cccc([N+](=O)[O-])c1 |
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| InChIKey | MBDLTFFHSFKEFT-OHYPFYFLSA-N |
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| PubChem CID | 6139540 |
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| EC No. | 645-889-1 |
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Chemical & Physical Properties
| XLogP | 4.3 |
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| Topological polar surface area | 125 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 8 |
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| Heavy atoms | 41 |
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| Formal charge | 0 |
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| Complexity | 969 |
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| Boiling point | 779.0±60.0 °C(Predicted) |
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| Density | 1.331±0.06 g/cm3(Predicted) |
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| pKa (acidity coefficient) | 4.50±1.00(Predicted) |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H335-H315-H319 |
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| GHS precautionary statements | P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P |
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Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| GHS hazard statements | H335-H315-H319 |
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| GHS precautionary statements | P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P |
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![4-[4-(Benzyloxy)-2-methylbenzoyl]-3-hydroxy-1-[2-(4-morpholinyl)ethyl]-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one molecular structure](/img/chemical/6139540.png)