HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-(3,4-Dihydroxyphenyl)-2-[(1-methylethyl)amino]ethan-1-on
S 35179 · NSC 163353 · Isoproterenon · N-Isopropylnoradrenalone · 34'-dihyfroxy-2- (isopropylaminojacetophenone · 3',4'-Dihydroxy-α-(isopropylamino)acetophenone · 3',4'-dihydroxy-2-(isopropylamino)acetophenone · 3',4'-dihydroxy-2-(isopropylamino)-acetophenon
![Molekülstruktur von 1-(3,4-Dihydroxyphenyl)-2-[(1-methylethyl)amino]ethan-1-on](/img/chemical/8465.png)
Identifikatoren & physikalische Daten
| CAS No. | 121-28-8 |
|---|---|
| Summenformel | C11H15NO3 |
| Durchschnittliche Molmasse | 209,24 g/mol |
| Monoisotopische Masse | 209,10519334 g/mol |
| SMILES | CC(C)NCC(=O)c1ccc(O)c(O)c1 |
| InChIKey | BIQMIYWSZZTXEX-UHFFFAOYSA-N |
| PubChem CID | 8465 |
| ChEMBL | CHEMBL598662 |
| EC No. | 204-461-0 |
| DTXSID | DTXSID90153099 |
| Lokaler Name | 1-(3,4-Dihydroxyphenyl)-2-[(1-methylethyl)amino]ethan-1-on |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 69,6 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 218 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 96℃ |
| Dichte | 1.185±0.06 g/cm3 (20 ºC 760 Torr) |
| InChI | InChI=1S/C11H15NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,12-14H,6H2,1-2H3 |
| InChIKey | BIQMIYWSZZTXEX-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(O)C(O)=C1)C(=O)CNC(C)C |
Herstellung & Synthese
synthetische
Obtained by reductive condensation of 3,4-dihydroxy-phenylglyoxal with isopropylamine in ethanol under hydrogen atmosphere in the presence of 14% Pd/C.