HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Hydantoinpropionic acid
HYDANTOIN-5-PROPIONATE · Hydantoin-propionate · 5-Hydantoinpropionic acid · Hydantoin-5-propionic acid · Carglumic Acid impurity 01 · Racemic glutamate impurity A · 4-Imidazolidinepropanoic acid, 2,5-dioxo- · 1-(2,4-(3H,5H)Imidazoledione)propionic acid
Identifikatoren & physikalische Daten
| CAS No. | 5624-26-0 |
|---|---|
| Summenformel | C6H8N2O4 |
| Durchschnittliche Molmasse | 172,14 g/mol |
| Monoisotopische Masse | 172,04840674 g/mol |
| SMILES | O=C(O)CCC1NC(=O)NC1=O |
| InChIKey | VWFWNXQAMGDPGG-UHFFFAOYSA-N |
| PubChem CID | 782 |
| ChEBI | CHEBI:28297 |
| EC No. | 819-779-0 |
| DTXSID | DTXSID50863581 |
Chemische & physikalische Eigenschaften
| XLogP | -1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 95,5 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 238 |
| Physical Description | Solid |
| Schmelzpunkt | 179-181 °C(Solv: water (7732-18-5)) |
| Dichte | 1.405±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 4.37±0.10(Predicted) |
| Farbe | White to Off-White |
| Stabilität | Hygroscopic |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 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 (50%) |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
3-(2,5-Dioxoimidazolidin-4-yl)propanoic Acid is defined as combinational markers to distinguish hepatocellular carcinoma (HCC) from cirrhosis (CIR).