HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 2801564Erstellt: 27. Oktober 2026
5-(Benzyloxy)-2-(hydroxymethyl)-1,4-dihydropyridin-4-one
5-(benzyloxy)-2-(hydroxymethyl)pyridin-4(1H)-one · 2-(hydroxymethyl)-5-[(phenylmethyl)oxy]-4-oxo-1,4-dihydropyridine · 5-benzyloxy-4-hydroxy-2-hydroxymethylpyridine · 2-(hydroxymethyl)-5-(phenylmethoxy)-4(1H)-Pyridinone · 4(1H)-Pyridinone, 2-(hydroxymethyl)-5-(phenylmethoxy)-
https://huagongshe.com/de/chemical/2801564
Identifikatoren & physikalische Daten
| CAS No. | 59281-14-0 |
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| Summenformel | C13H13NO3 |
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| Durchschnittliche Molmasse | 231,25 g/mol |
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| Monoisotopische Masse | 231,08954328 g/mol |
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| SMILES | O=c1cc(CO)[nH]cc1OCc1ccccc1 |
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| InChIKey | IWJLZADTSIIYBX-UHFFFAOYSA-N |
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| PubChem CID | 2801564 |
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| ChEMBL | CHEMBL1547951 |
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| ChEBI | CHEBI:183675 |
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| EC No. | 830-279-1 |
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| DTXSID | DTXSID701380377 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
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| Polarare Oberfläche (TPSA) | 58,6 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 17 |
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| Formalladung | 0 |
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| Komplexität | 341 |
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| Löslichkeit | 34.4 [ug/mL] (The mean of the results at pH 7.4) |
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| Siedepunkt | 463.4±45.0 °C(Predicted) |
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| Dichte | 1.27±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| pKa (Säurekonstante) | 9.92±0.69(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
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