HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-(Aminocarbonyl)-DL-aspartsure
UREIDOSUCCINIC ACID · NCD · N-CARBAMYL-DL-ASP · 2-Ureidosuccinic acid · DL-UREIDOSUCCINIC ACID · N-carbamoylasparticaci · carbamyl-L-aspartic acid · CARBAMYL-DL-ASPARTIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 13184-27-5 |
|---|---|
| Summenformel | C5H8N2O5 |
| Durchschnittliche Molmasse | 176,13 g/mol |
| Monoisotopische Masse | 176,04332136 g/mol |
| SMILES | NC(=O)NC(CC(=O)O)C(=O)O |
| InChIKey | HLKXYZVTANABHZ-UHFFFAOYSA-N |
| PubChem CID | 279 |
| ChEMBL | CHEMBL1161506 |
| ChEBI | CHEBI:64850 |
| EC No. | 213-096-6 |
| DTXSID | DTXSID701030182 |
| Lokaler Name | N-(Aminocarbonyl)-DL-aspartsure |
Chemische & physikalische Eigenschaften
| XLogP | -1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 130 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 214 |
| Schmelzpunkt | ~175 °C (dec.) |
| Siedepunkt | 307.71°C (rough estimate) |
| Dichte | 1.6018 (rough estimate) |
| Brechungsindex | 1.4472 (estimate) |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Löslichkeit | Aqueous Acid (Slightly), DMSO (Slightly)Soluble in hot water. |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 3.65±0.23(Predicted) |
| Farbe | White to Off-White |
| BRN | 1726861 |
| InChI | 1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12) |
| InChIKey | HLKXYZVTANABHZ-UHFFFAOYSA-N |
| SMILES | NC(=O)NC(CC(O)=O)C(O)=O |
| CAS Datenbank | 923-37-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| Zollcode | 2922498590 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
N-Carbamoyl-DL-aspartic acid, is a useful biochemical for proteomics research. It is also used as a carbamate derivative which serves as an intermediate in pyrimidine biosynthesis.