HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-Acetyl-β-alanin
N-ACETYL-BETA-ALANINE · Ac-β-Ala-OH · N-ACETYL-B-ALANINE · 3-acetaMidopropanoic acid · NSC 32039 · Ac-Bata-Ala · Ac-beta-Ala-OH · Acetyl-b-alanine
Identifikatoren & physikalische Daten
| CAS No. | 3025-95-4 |
|---|---|
| Summenformel | C5H9NO3 |
| Durchschnittliche Molmasse | 131,13 g/mol |
| Monoisotopische Masse | 131,05824315 g/mol |
| SMILES | CC(=O)NCCC(=O)O |
| InChIKey | LJLLAWRMBZNPMO-UHFFFAOYSA-N |
| PubChem CID | 76406 |
| ChEBI | CHEBI:16682 |
| EC No. | 221-185-6 |
| DTXSID | DTXSID90184343 |
| Lokaler Name | N-Acetyl-β-alanin |
Chemische & physikalische Eigenschaften
| XLogP | -1 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,4 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 121 |
| Schmelzpunkt | 105-106℃ |
| Siedepunkt | 392.0±25.0 °C(Predicted) |
| Dichte | 1.174 |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO, Methanol, Water |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | pK1: 4.445 (25°C) |
| Farbe | White |
| CAS Datenbank | 3025-95-4(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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Zollcode | 2924.19.8000 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
Abnormal amino acid metbolite formed in patients with isovaleric acidemia (IVA)