HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-(4-Aminophenyl)butanoic acid
AKOS BB-8810 · 4-Amino-benzenebutanoic · p-Aminophenylbutyricacid · 4-Aminophenylbutyric Acid · 4-Aminobenzenebutanoic acid · 4-(4-AMINOPHENYL)BUTYRIC ACID · 4-(4-Aminophenyl)butanoicacid · Benzenebutanoic acid, 4-amino-
Identifikatoren & physikalische Daten
| CAS No. | 15118-60-2 |
|---|---|
| Summenformel | C10H13NO2 |
| Durchschnittliche Molmasse | 179,22 g/mol |
| Monoisotopische Masse | 179,09462866 g/mol |
| SMILES | Nc1ccc(CCCC(=O)O)cc1 |
| InChIKey | RBHLFWNKEWLHBP-UHFFFAOYSA-N |
| PubChem CID | 27049 |
| ChEMBL | CHEMBL1650245 |
| EC No. | 628-142-4 |
| DTXSID | DTXSID50164727 |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 63,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 162 |
| Schmelzpunkt | 121-124 °C (lit.) 121-133 °C |
| Siedepunkt | 363.7±17.0 °C(Predicted) |
| Dichte | 1.177±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 4.70±0.10(Predicted) |
| Farbe | Light Beige to Light Brown |
| Hauptanwendungen | peptide synthesis |
| InChI | InChI=1S/C10H13NO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,1-3,11H2,(H,12,13) |
| InChIKey | RBHLFWNKEWLHBP-UHFFFAOYSA-N |
| SMILES | C1(CCCC(O)=O)=CC=C(N)C=C1 |
| CAS Datenbank | 15118-60-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2922498590 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Beschreibung
4-(4-Aminophenyl)butyric acid (4-APB) is an important organic compound derived from butyric acid, which is used as a synthetic intermediate for pharmaceuticals or the synthesis of various compounds. It is also used in drug mechanism studies and is thought to be an agonist for certain G-protein coupled receptors and may also interact with other proteins in the signal transduction pathway. In addition, 4-(4-aminophenyl)butyric acid has been found to inhibit monoamine oxidase, which plays a role in neurotransmitter catabolism.