HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 327596Erstellt: 3. November 2026
2-(3,4-Dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
OTAVA-BB BB5030340418 · 2-(3,4-DIMETHOXY-PHENYL)-THIAZOLIDINE-4-CARBOXYLIC ACID · 4-Thiazolidinecarboxylic acid, 2-(3,4-dimethoxyphenyl)- · 2-(3,4-Dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
https://huagongshe.com/de/chemical/327596
Identifikatoren & physikalische Daten
| CAS No. | 72678-92-3 |
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| Summenformel | C12H15NO4S |
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| Durchschnittliche Molmasse | 269,32 g/mol |
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| Monoisotopische Masse | 269,07217913 g/mol |
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| SMILES | COc1ccc(C2NC(C(=O)O)CS2)cc1OC |
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| InChIKey | VVYKDOVBUSRSCZ-UHFFFAOYSA-N |
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| PubChem CID | 327596 |
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| ChEMBL | CHEMBL239501 |
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| EC No. | 672-268-2 |
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| DTXSID | DTXSID30316424 |
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Chemische & physikalische Eigenschaften
| XLogP | -0,9 |
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| Polarare Oberfläche (TPSA) | 93,1 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 6 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 18 |
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| Formalladung | 0 |
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| Komplexität | 302 |
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| Schmelzpunkt | 179-180°C |
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| Siedepunkt | 476.7±45.0 °C(Predicted) |
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| Dichte | 1.290±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 1.96±0.40(Predicted) |
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| CAS Datenbank | 72678-92-3(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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. 4 (100%) |
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| R-Sätze (R) | 25 |
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| Gefahrensymbole | T |
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| Sicherheitshinweise (S) | 45 |
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