HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(2S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-methylbutanoic acid
Fmoc-NaL · FMOC-N-ME-VAL-OH · FMOC-MEVAL-OH · (S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-methylbutanoic acid · FMOC-N-ME-L-VAL-OH · FMOC-N-ALPHA-METHYL-L-VALINE · FMOC-L-MEVAL-OH · FMOC-N-ME-VALINE
Identifikatoren & physikalische Daten
| CAS No. | 84000-11-3 |
|---|---|
| Summenformel | C21H23NO4 |
| Durchschnittliche Molmasse | 353,4 g/mol |
| Monoisotopische Masse | 353,16270822 g/mol |
| SMILES | CC(C)[C@@H](C(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 |
| InChIKey | YCXXXPZNQXXRIG-IBGZPJMESA-N |
| PubChem CID | 978328 |
| EC No. | 807-805-3 |
| DTXSID | DTXSID30359654 |
Chemische & physikalische Eigenschaften
| XLogP | 4,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 26 |
| Formalladung | 0 |
| Komplexität | 498 |
| Schmelzpunkt | 187-190 °C |
| Siedepunkt | 527.6±29.0 °C(Predicted) |
| Dichte | 1.214±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.Slightly soluble in water and dimethyl formamide. |
| pKa (Säurekonstante) | 3.92±0.10(Predicted) |
| Aggregatzustand | Powder |
| Farbe | White |
| BRN | 4560212 |
| Hauptanwendungen | peptide synthesis |
| InChI | InChI=1S/C21H23NO4/c1-13(2)19(20(23)24)22(3)21(25)26-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,12H2,1-3H3,(H,23,24)/t19-/m0/s1 |
| InChIKey | YCXXXPZNQXXRIG-IBGZPJMESA-N |
| SMILES | C(O)(=O)[C@H](C(C)C)N(C(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)C |
| CAS Datenbank | 84000-11-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.WarningH315 (33.3%): 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (33.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2924297099 |
| Sicherheitshinweise (S) | 22-24/25 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
N-Fmoc-N-methyl-L-valine (Fmoc-N-Me-Val-OH) is used as enzyme substrates and reagents, culture media additives, dyes, stains and indicators. It is also involved in the preparation of N-methylated peptides.