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HCID 2829290Erstellt: 2. November 2026

Methyl 1,4,5,6,7,8-hexahydro-4-(4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-3-quinolinecarboxylate

Methyl 4-(4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate · 3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-4-(4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-, methyl ester

https://huagongshe.com/de/chemical/2829290

Molekülstruktur von Methyl 1,4,5,6,7,8-hexahydro-4-(4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-3-quinolinecarboxylate

Identifikatoren & physikalische Daten

CAS No.292852-48-3
SummenformelC20H23NO4
Durchschnittliche Molmasse341,4 g/mol
Monoisotopische Masse341,16270821 g/mol
SMILESCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(O)cc1
InChIKeyVTNYBNGREGVNLD-UHFFFAOYSA-N
PubChem CID2829290
EC No.159-635-8
DTXSIDDTXSID901119168

Chemische & physikalische Eigenschaften

XLogP2,9
Polarare Oberfläche (TPSA)75,6
H-Brücken-Donoren2
H-Brücken-Akzeptoren5
Frei drehbare Bindungen3
Schwere Atome25
Formalladung0
Komplexität651
Schmelzpunkt288-290 °C
Siedepunkt515.703±50.00 °C(Press: 760.00 Torr)(predicted)
Dichte1.249±0.10 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted)
pKa (Säurekonstante)9.725±0.30(predicted)

Sicherheit & Vorschriften

GHS-EinstufungWarningH315 (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.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)