HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-[(tert-Butoxy)carbonyl]-L-valin
BOC-VAL-OH · BOC-VAL · BOC-L-VALINE · BOC-L-VAL-OH · -OH · BOC-L-VAL · BOC-VALINE · N-(TERT-BUTOXYCARBONYL)-L-VALINE
![Molekülstruktur von N-[(tert-Butoxy)carbonyl]-L-valin](/img/chemical/83693.png)
Identifikatoren & physikalische Daten
| CAS No. | 13734-41-3 |
|---|---|
| Summenformel | C10H19NO4 |
| Durchschnittliche Molmasse | 217,26 g/mol |
| Monoisotopische Masse | 217,13140809 g/mol |
| SMILES | CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)O |
| InChIKey | SZXBQTSZISFIAO-ZETCQYMHSA-N |
| PubChem CID | 83693 |
| ChEMBL | CHEMBL5305170 |
| EC No. | 237-307-6 |
| DTXSID | DTXSID50884635 |
| Lokaler Name | N-[(tert-Butoxy)carbonyl]-L-valin |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 75,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 242 |
| Schmelzpunkt | 77-80 °C(lit.) |
| Siedepunkt | 357.82°C (rough estimate) |
| Dichte | 1.1518 (rough estimate) |
| Dampfdruck | 0.002Pa at 25℃ |
| Brechungsindex | -6.5 ° (C=1, AcOH) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform, DMF, DMSO, Methanolinsoluble |
| pKa (Säurekonstante) | 4.01±0.10(Predicted) |
| Aggregatzustand | Fine Crystalline Powder |
| Farbe | White |
| BRN | 1711290 |
| Hauptanwendungen | peptide synthesis |
| InChI | 1S/C10H19NO4/c1-6(2)7(8(12)13)11-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,11,14)(H,12,13)/t7-/m0/s1 |
| InChIKey | SZXBQTSZISFIAO-ZETCQYMHSA-N |
| SMILES | CC(C)[C@H](NC(=O)OC(C)(C)C)C(O)=O |
| LogP (Verteilungskoeffizient) | 1.752 at 25℃ |
| CAS Datenbank | 13734-41-3(CAS DataBase Reference) |
| EPA chemische Informationen | L-Valine, N-[(1,1-dimethylethoxy)carbonyl]- (13734-41-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 88.9% (16 of 18) of all reports.WarningH315 (11.1%): 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 18 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 28-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/11807 |
| Hazard Classes and Categories | Skin Irrit. 2 (11.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2924 19 00 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 24/25-36-26 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
N-Boc-L-valine is used in the multi-peptide synthesis and serves as the amino acid protection monomer.