HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-Benzoylalanin
Bz-L-Ala-OH · Nsc 43124 · Bz-Ala-OH · BZ-ALANINE · BZO-ALA-OH · BENZOYL-ALA-OH · Einecs 218-601-3 · BENZOYL-L-ALANINE
Identifikatoren & physikalische Daten
| CAS No. | 2198-64-3 |
|---|---|
| Summenformel | C10H11NO3 |
| Durchschnittliche Molmasse | 193,2 g/mol |
| Monoisotopische Masse | 193,07389321 g/mol |
| SMILES | C[C@H](NC(=O)c1ccccc1)C(=O)O |
| InChIKey | UAQVHNZEONHPQG-ZETCQYMHSA-N |
| PubChem CID | 709778 |
| ChEMBL | CHEMBL291475 |
| ChEBI | CHEBI:71166 |
| EC No. | 218-601-3 |
| DTXSID | DTXSID40176394 |
| Lokaler Name | N-Benzoylalanin |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,4 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 221 |
| Stoffklassen | Biological Agents -> Amino Acids and Derivatives |
| Physical Description | Solid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 163-164℃ |
| Siedepunkt | 148-151 °C |
| Dichte | 1.224 |
| Lagerbedingungen | Sealed in dry,Store in freezer, under -20°C |
| Löslichkeit | DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 3.86±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| CAS Datenbank | 2198-64-3(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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Gefahrenübersicht | May cause irritation[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2924297099 |
Anwendungen & Verwendung
Verwenden
(S)-α-Methylhippuric Acid, can be used in the synthesis of various pharmaceutical and biologically active compounds. It is used in the synthesis of N-(ferrocenylmethyl amino acid) fluorinated benzene-carboxamide derivatives as potential anticancer agents.