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HCID 2829359Erstellt: 1. November 2026
Ethyl 4-(3,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 4-(3,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate · 3-Quinolinecarboxylic acid, 4-(3,4-dimethoxyphenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, ethyl ester
https://huagongshe.com/de/chemical/2829359
Identifikatoren & physikalische Daten
| CAS No. | 292853-30-6 |
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| Summenformel | C23H29NO5 |
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| Durchschnittliche Molmasse | 399,5 g/mol |
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| Monoisotopische Masse | 399,20457303 g/mol |
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| SMILES | CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(OC)c(OC)c1 |
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| InChIKey | AGYGSGDDSUUXGN-UHFFFAOYSA-N |
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| PubChem CID | 2829359 |
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| EC No. | 151-877-2 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
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| Polarare Oberfläche (TPSA) | 73,9 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 6 |
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| Frei drehbare Bindungen | 6 |
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| Schwere Atome | 29 |
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| Formalladung | 0 |
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| Komplexität | 736 |
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| Schmelzpunkt | 198-199 °C(Solv: ethanol (64-17-5)) |
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| Siedepunkt | 528.5±50.0 °C(Predicted) |
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| Dichte | 1.18±0.1 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 1.29±0.70(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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