HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-(tert-Butoxycarbonyl)glycin
BOC-GLY-OH · BOC-GLY · N-(TERT-BUTOXYCARBONYL)GLYCINE · N-BOC-GLYCINE · Boc-g · BOC-L-GLY-OH · BOC-GLYCINE-OH · Boc-glycin
Identifikatoren & physikalische Daten
| CAS No. | 4530-20-5 |
|---|---|
| Summenformel | C7H13NO4 |
| Durchschnittliche Molmasse | 175,18 g/mol |
| Monoisotopische Masse | 175,0844579 g/mol |
| SMILES | CC(C)(C)OC(=O)NCC(=O)O |
| InChIKey | VRPJIFMKZZEXLR-UHFFFAOYSA-N |
| PubChem CID | 78288 |
| ChEMBL | CHEMBL508605 |
| EC No. | 224-864-5 |
| DTXSID | DTXSID2063509 |
| Lokaler Name | N-(tert-Butoxycarbonyl)glycin |
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 75,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 182 |
| Schmelzpunkt | 86-89 °C(lit.) |
| Siedepunkt | 306.47°C (rough estimate) |
| Dichte | 1.2843 (rough estimate) |
| Brechungsindex | 1.4353 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)soluble |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 4.00±0.10(Predicted) |
| Farbe | White to off-white |
| BRN | 1101514 |
| Hauptanwendungen | peptide synthesis |
| InChI | InChI=1S/C7H13NO4/c1-7(2,3)12-6(11)8-4-5(9)10/h4H2,1-3H3,(H,8,11)(H,9,10) |
| InChIKey | VRPJIFMKZZEXLR-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CNC(OC(C)(C)C)=O |
| CAS Datenbank | 4530-20-5(CAS DataBase Reference) |
| EPA chemische Informationen | Glycine, N-[(1,1-dimethylethoxy)carbonyl]- (4530-20-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 38.4% (38 of 99) of reports.DangerH302 (53.5%): Harmful if swallowed [Warning Acute toxicity, oral]H318 (61.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 99 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 38 of 99 reports by companies.There are 4 notifications provided by 61 of 99 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 22-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/20753 |
| Hazard Classes and Categories | Acute Tox. 4 (53.5%)Eye Dam. 1 (61.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN2811 |
| Zollcode | 29241990 |
| R-Sätze (R) | 22-41-36/37/38-20/21/22 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-36/37/39-39-36 |
| Gefahrenklasse | 6.1 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
BOC-Glycine is used in the composition of drugs containing Ketoprofen, and Sodium hyaluronate as antiinflammatory agents.