HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl-4-(4-aminophenyl)butyrat
Einecs 243-933-0 · Methyl 4-aminobenzenebutanoate · Methyl 4-(4-Aminopheny)Butanoate · Methyl 4-(4-aminophenyl)butyrate · METHYL 4-(4-AMINOPHENYL)BUTYARTE · Methyl 4-(4-aminophenyl)butanoate · 4-aminophenylbutyricacidmethylester · 4-(4-Aminophenyl)butyricacidmethylester
Identifikatoren & physikalische Daten
| CAS No. | 20637-09-6 |
|---|---|
| Summenformel | C11H15NO2 |
| Durchschnittliche Molmasse | 193,24 g/mol |
| Monoisotopische Masse | 193,11027872 g/mol |
| SMILES | COC(=O)CCCc1ccc(N)cc1 |
| InChIKey | CLKHQWJXESOLCJ-UHFFFAOYSA-N |
| PubChem CID | 88628 |
| EC No. | 243-933-0 |
| DTXSID | DTXSID40174673 |
| Lokaler Name | Methyl-4-(4-aminophenyl)butyrat |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 174 |
| Schmelzpunkt | 42 °C(Solv: ligroine (8032-32-4)) |
| Siedepunkt | 323.9±25.0 °C(Predicted) |
| Dichte | 1.088±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| pKa (Säurekonstante) | 4.83±0.10(Predicted) |
| InChI | InChI=1S/C11H15NO2/c1-14-11(13)4-2-3-9-5-7-10(12)8-6-9/h5-8H,2-4,12H2,1H3 |
| InChIKey | CLKHQWJXESOLCJ-UHFFFAOYSA-N |
| SMILES | C1(CCCC(OC)=O)=CC=C(N)C=C1 |
| NIST chemische Informationen | 4-(4-Aminophenyl)butanoic acid methyl ester(20637-09-6) |
Sicherheit & Vorschriften
| Zollcode | 2922498590 |
|---|
Anwendungen & Verwendung
Verwenden
Methyl 4-(4-Aminophenyl)butanoate is used in the synthesis of derivative of chlorambucil, a selective anti-cancer drug toward chondrosarcoma that would concentrate in this malignant cartilaginous tissue.