HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-[tert-Butoxycarbonyl]-L-serin
Boc-Ser · Boc-Ser.H2O · BOC-L-SER · N-BOC-L-SERINE · BOC-L-SER-OH · N-(TERT-BUTOXYCARBONYL)-L-SERINE · 221-867-3 · BOC-SERINE
![Molekülstruktur von N-[tert-Butoxycarbonyl]-L-serin](/img/chemical/98766.png)
Identifikatoren & physikalische Daten
| CAS No. | 3262-72-4 |
|---|---|
| Summenformel | C8H15NO5 |
| Durchschnittliche Molmasse | 205,21 g/mol |
| Monoisotopische Masse | 205,09502258 g/mol |
| SMILES | CC(C)(C)OC(=O)N[C@@H](CO)C(=O)O |
| InChIKey | FHOAKXBXYSJBGX-YFKPBYRVSA-N |
| PubChem CID | 98766 |
| ChEMBL | CHEMBL438330 |
| EC No. | 221-867-3 |
| DTXSID | DTXSID601317842 |
| Lokaler Name | N-[tert-Butoxycarbonyl]-L-serin |
Chemische & physikalische Eigenschaften
| XLogP | -0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 95,9 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 220 |
| Schmelzpunkt | 91 °C (dec.)(lit.) |
| Siedepunkt | 385.1±37.0 °C(Predicted) |
| Dichte | 1.240±0.06 g/cm3(Predicted) |
| Brechungsindex | -4 ° (C=1, AcOH) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.almost transparency |
| pKa (Säurekonstante) | 3.62±0.10(Predicted) |
| Aggregatzustand | Powder |
| Farbe | White |
| BRN | 2212252 |
| Hauptanwendungen | peptide synthesis |
| InChI | 1S/C8H15NO5/c1-8(2,3)14-7(13)9-5(4-10)6(11)12/h5,10H,4H2,1-3H3,(H,9,13)(H,11,12)/t5-/m0/s1 |
| InChIKey | FHOAKXBXYSJBGX-YFKPBYRVSA-N |
| SMILES | CC(C)(C)OC(=O)N[C@@H](CO)C(O)=O |
| CAS Datenbank | 3262-72-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 40% (2 of 5) of reports.WarningH315 (60%): 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 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (60%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29241990 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 24/25-36-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Starting material for the synthesis of various a-amino acids via the b-lactone