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HCID 2829289Erstellt: 3. November 2026
Ethyl 4-(4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
4(4-HO-PH)2,7,7-TRI-ME-5-OXO-1,4,5,6,7,8-6H-QUINOLINE-3-CARBOXYLIC ACID ET ESTER · ethyl 4-(4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate · 3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-4-(4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-, ethyl ester
https://huagongshe.com/de/chemical/2829289
Identifikatoren & physikalische Daten
| CAS No. | 292852-47-2 |
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| Summenformel | C21H25NO4 |
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| Durchschnittliche Molmasse | 355,4 g/mol |
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| Monoisotopische Masse | 355,17835828 g/mol |
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| SMILES | CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(O)cc1 |
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| InChIKey | GFDTWMMIHOBFFQ-UHFFFAOYSA-N |
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| PubChem CID | 2829289 |
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| EC No. | 151-870-4 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
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| Polarare Oberfläche (TPSA) | 75,6 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 26 |
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| Formalladung | 0 |
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| Komplexität | 665 |
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| Schmelzpunkt | 238-240 °C |
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| Siedepunkt | 525.5±50.0 °C(Predicted) |
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| Dichte | 1.22±0.1 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 9.72±0.30(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 | Acute Tox. 3 (100%) |
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