HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Aminovaleriansaeure
5-AMINOPENTANOIC ACID · 5-Aminovalerate · 5-Ava-OH · 5-AVA · H-5-AVA-OH · H-APE(5)-OH · H2N(CH2)4COOH · NH2-(CH2)4-COOH
Identifikatoren & physikalische Daten
| CAS No. | 660-88-8 |
|---|---|
| Summenformel | C5H11NO2 |
| Durchschnittliche Molmasse | 117,15 g/mol |
| Monoisotopische Masse | 117,07897859 g/mol |
| SMILES | NCCCCC(=O)O |
| InChIKey | JJMDCOVWQOJGCB-UHFFFAOYSA-N |
| PubChem CID | 138 |
| ChEMBL | CHEMBL284116 |
| ChEBI | CHEBI:15887 |
| EC No. | 211-544-5 |
| DTXSID | DTXSID70216212 |
| Lokaler Name | 5-Aminovaleriansaeure |
Chemische & physikalische Eigenschaften
| XLogP | -2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 63,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 72,8 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Amino fatty acids [FA0110] |
| LogP (Verteilungskoeffizient) | -2.63 |
| Löslichkeit | 1000 mg/mL at 20 °CChloroform (Slightly), Methanol (Slightly), Water (Slightly) |
| Schmelzpunkt | 157.5 °C158-161 °C(lit.) |
| Physical Description | Solid |
| Collision Cross Section | 121.3 Ų [M+H]+ [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)] |
| Siedepunkt | 247.5±23.0 °C(Predicted) |
| Dichte | 1.2000 (estimate) |
| Brechungsindex | 1.4650 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 4.27(at 25℃) |
| Farbe | White to off-white |
| BRN | 906833 |
| Hauptanwendungen | peptide synthesis |
| InChI | InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8) |
| InChIKey | JJMDCOVWQOJGCB-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CCCCN |
| CAS Datenbank | 660-88-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29224999 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 22-24/25-36-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
5-Aminovaleric Acid is used in the development of drugs that halts severe type of seizures.