HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 93072Erstellt: 27. Oktober 2026
N-Carbamoylasparaginsure
N-carbamoyl-L-aspartate · N-carbamoyl-L-aspartic acid · (2S)-2-(carbamoylamino)butanedioic acid · l-asparticaci · Carbamoyl-Asp-OH · N-Carbamoyl-L-Asp-OH · carbamylasparticacid · l-ureidosuccinicacid
https://huagongshe.com/de/chemical/93072
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)N[C@@H](CC(=O)O)C(=O)O |
|---|
| InChIKey | HLKXYZVTANABHZ-REOHCLBHSA-N |
|---|
| PubChem CID | 93072 |
|---|
| ChEBI | CHEBI:15859 |
|---|
| EC No. | 236-134-3 |
|---|
| DTXSID | DTXSID30864374 |
|---|
| Lokaler Name | N-Carbamoylasparaginsure |
|---|
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 |
|---|
| Stoffklassen | Biological Agents -> Amino Acids and Derivatives |
|---|
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
|---|
| Löslichkeit | 3.7 mg/mL |
|---|
| Schmelzpunkt | 174 - 175 °C |
|---|
| Physical Description | Solid |
|---|
| Collision Cross Section | 139.1 Ų [M+Na]+ [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)] |
|---|
| Lagerbedingungen | 2-8°C |
|---|
| Aggregatzustand | Solid |
|---|
| Farbe | White to off-white |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (66.7%): 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 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Gefahrenübersicht | See Aspartic acid. |
|---|
| Hazard Classes and Categories | Skin Irrit. 2 (66.7%) |
|---|
| Alarmwort | Warnung |
|---|
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315 |
|---|
