HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-Benzyloxycarbonyl-β-alanin
Z-β-Ala-OH · Cbz-β-Ala-OH · Z-BETA-ALA-OH · N-Cbz-β-alanine · N-Cbz-b-alanine · Z- SS ALA · Cbz-β-Ala · Z-Beta-Ala
Identifikatoren & physikalische Daten
| CAS No. | 2304-94-1 |
|---|---|
| Summenformel | C11H13NO4 |
| Durchschnittliche Molmasse | 223,22 g/mol |
| Monoisotopische Masse | 223,0844579 g/mol |
| SMILES | O=C(O)CCNC(=O)OCc1ccccc1 |
| InChIKey | GEVGRLPYQJTKKS-UHFFFAOYSA-N |
| PubChem CID | 75313 |
| EC No. | 218-967-4 |
| DTXSID | DTXSID70177596 |
| Lokaler Name | N-Benzyloxycarbonyl-β-alanin |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 75,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 236 |
| Schmelzpunkt | 100-105°C |
| Siedepunkt | 435.9±38.0 °C(Predicted) |
| Dichte | 1.249±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 4.45±0.10(Predicted) |
| Aggregatzustand | Powder |
| Farbe | White |
| BRN | 1882542 |
| InChIKey | GEVGRLPYQJTKKS-UHFFFAOYSA-N |
| CAS Datenbank | 2304-94-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 2 |
| Zollcode | 29242990 |
| R-Sätze (R) | 22-41 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-39 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
N-Carbobenzoxy-β-alanine has been utilized for various synthesis applications including palladium-catalyzed asymmetric allylation ofβ-diketones, branched linker that can increase the potency of doxorubicin immunoconjugates, and diacridines that intercalate nucleic acids and inhibit DNA synthesis.