HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
p-Methoxyphenylpropionic acid
2-(4-methoxyphenyl)propanoic acid · Benzeneacetic acid, 4-methoxy-α-methyl-
Identifikatoren & physikalische Daten
| CAS No. | 942-54-1 |
|---|---|
| Summenformel | C10H12O3 |
| Durchschnittliche Molmasse | 180,2 g/mol |
| Monoisotopische Masse | 180,07864424 g/mol |
| SMILES | COc1ccc(C(C)C(=O)O)cc1 |
| InChIKey | KBDLTYNZHQRMQC-UHFFFAOYSA-N |
| PubChem CID | 257576 |
| ChEMBL | CHEMBL370087 |
| EC No. | 829-373-5 |
| DTXSID | DTXSID70292819 |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 171 |
| Schmelzpunkt | 55-57 °C(Solv: benzene (71-43-2)ligroine (8032-32-4)) |
| Siedepunkt | 309.4±25.0 °C(Predicted) |
| Dichte | 1.139±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 4.49±0.10(Predicted) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, 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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
2-(4-methoxyphenyl)propanoic Acid is a reagent used in the preparation of nonphenolic inhibitors for catechol O-methyltransferase which may be used in the treatment of neurological disorders.