HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-(4-Hydroxyphenyl)-N-(2-(4-hydroxyphenyl)ethyl)prop-2-enimidic acid
N-trans-p-coumaroyltyramine · trans-N-(p-CouMaroyl)tyraMine · p-Hydroxy-N-(p-hydroxyphenethyl)-cinnamamide · N-(4-Hydroxyphenethyl)-4-hydroxybenzeneacrylamide · 3-(p-Hydroxyphenyl)-N-(p-hydroxyphenethyl)propenamide · 3-(4-hydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide · 2-Propenamide, 3-(4-hydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-
Identifikatoren & physikalische Daten
| CAS No. | 20375-37-5 |
|---|---|
| Summenformel | C17H17NO3 |
| Durchschnittliche Molmasse | 283,32 g/mol |
| Monoisotopische Masse | 283,1208434 g/mol |
| SMILES | O=C(C=Cc1ccc(O)cc1)NCCc1ccc(O)cc1 |
| InChIKey | RXGUTQNKCXHALN-UHFFFAOYSA-N |
| PubChem CID | 89322 |
| ChEBI | CHEBI:181326 |
| DTXSID | DTXSID20942534 |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 69,6 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 21 |
| Formalladung | 0 |
| Komplexität | 340 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 247-248 °C |
| Siedepunkt | 586.5±50.0 °C(Predicted) |
| Dichte | 1.248±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 9.74±0.30(Predicted) |
Anwendungen & Verwendung
Verwenden
p-Coumaroyltyramine is a metabolite isolated from Piper septuplinervium.