HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Aminobutyratethylhydrochlorid
ethyl 4-aMinobutanoate hydrochloride · df503 · eegaba · γ-Abu-Oet.HCl · 4-Abu-OEt·HCl · H-GABA-OEt.HCl · L-4-Abu-OEt·HCl · TIMTEC-BB SBB003878
Identifikatoren & physikalische Daten
| CAS No. | 6937-16-2 |
|---|---|
| Summenformel | C6H14ClNO2 |
| Durchschnittliche Molmasse | 167,63 g/mol |
| Monoisotopische Masse | 167,0713064 g/mol |
| SMILES | CCOC(=O)CCC[NH3+].[Cl-] |
| InChIKey | CXVQSUBJMYZELD-UHFFFAOYSA-N |
| PubChem CID | 23364 |
| Lokaler Name | 4-Aminobutyratethylhydrochlorid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 53,9 |
|---|---|
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 83,1 |
| Schmelzpunkt | 89-91 °C(lit.) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystal |
| Farbe | White to Almost white |
| BRN | 3911780 |
| InChI | 1S/C6H13NO2.ClH/c1-2-9-6(8)4-3-5-7/h2-5,7H2,1H3 |
| InChIKey | CXVQSUBJMYZELD-UHFFFAOYSA-N |
| SMILES | Cl.CCOC(=O)CCCN |
| CAS Datenbank | 6937-16-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| Zollcode | 29224999 |
| RTECS-Nr. | ES6650000 |
| R-Sätze (R) | 36/37/38 |
| Toxizität | LD50 intraperitoneal in mouse: 1350mg/kg |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Ethyl 4-aminobutyrate hydrochloride (4-Abu-Oet·HCl) has various potential applications. As a derivative of amino acids, it may play a significant role in biochemical and pharmaceutical research, especially in the design and synthesis of new drugs or bioactive compounds. Additionally, it could be utilized as a building block in organic synthesis to create organic compounds with specific structures and functionalities.