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N-[(1,1-Dimethylethoxy)carbonyl]sarkosin
BOC-SAR · BOC-SARCOSINE · N-BOC-SARCOSINE · 2-((tert-butoxycarbonyl)(Methyl)aMino)acetic acid · BOC-SAR-OH · BOC-MEGLY-OH · Boc-L-Sar-OH · BOC-N-ME-GLY-OH
![Molekülstruktur von N-[(1,1-Dimethylethoxy)carbonyl]sarkosin](/img/chemical/83692.png)
Identifikatoren & physikalische Daten
| CAS No. | 13734-36-6 |
|---|---|
| Summenformel | C8H15NO4 |
| Durchschnittliche Molmasse | 189,21 g/mol |
| Monoisotopische Masse | 189,10010796 g/mol |
| SMILES | CN(CC(=O)O)C(=O)OC(C)(C)C |
| InChIKey | YRXIMPFOTQVOHG-UHFFFAOYSA-N |
| PubChem CID | 83692 |
| EC No. | 237-306-0 |
| DTXSID | DTXSID9065603 |
| Lokaler Name | N-[(1,1-Dimethylethoxy)carbonyl]sarkosin |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 207 |
| Schmelzpunkt | 88-90 °C |
| Siedepunkt | 324.46°C (rough estimate) |
| Dichte | 1.2321 (rough estimate) |
| Brechungsindex | 1.4540 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Sparingly), DMSO (Sparingly), Methanol (Slightly) |
| Aggregatzustand | Crystals or Crystalline Powder |
| pKa (Säurekonstante) | 4.03±0.10(Predicted) |
| Farbe | White |
| BRN | 2046827 |
| Stabilität | Hygroscopic |
| Hauptanwendungen | peptide synthesis |
| InChI | InChI=1S/C8H15NO4/c1-8(2,3)13-7(12)9(4)5-6(10)11/h5H2,1-4H3,(H,10,11) |
| InChIKey | YRXIMPFOTQVOHG-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CN(C(OC(C)(C)C)=O)C |
| CAS Datenbank | 13734-36-6(CAS DataBase Reference) |
| EPA chemische Informationen | Glycine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl- (13734-36-6) |
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)Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 16-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31806 |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29241990 |
| Sicherheitshinweise (S) | 24/25 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Boc-N-methylglycine is used in the preparation of Clavatustide A (C563723) and Clavatustide B (C563725), which have been shown to suppress the proliferation of human hepatocellular carcinoma cells under specific conditions.