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(R)-β-Aminophenethylalkohol
(R)-PHENYLGLYCINOL · D-PHENYLGLYCINOL · (R)-(-)-2-Phenylglycinol · (R)-2-AMINO-2-PHENYLETHANOL · (2R)-2-Amino-2-phenylethan-1-ol · D-PHG-OL · d-plenylglycinol · ycinoL
Identifikatoren & physikalische Daten
| CAS No. | 56613-80-0 |
|---|---|
| Summenformel | C8H11NO |
| Durchschnittliche Molmasse | 137,18 g/mol |
| Monoisotopische Masse | 137,08406397 g/mol |
| SMILES | N[C@@H](CO)c1ccccc1 |
| InChIKey | IJXJGQCXFSSHNL-QMMMGPOBSA-N |
| PubChem CID | 2724025 |
| ChEMBL | CHEMBL1907936 |
| ChEBI | CHEBI:180555 |
| EC No. | 260-287-5 |
| DTXSID | DTXSID10205180 |
| Lokaler Name | (R)-β-Aminophenethylalkohol |
Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 89,3 |
| Schmelzpunkt | 76-79 °C |
| Siedepunkt | 252.03°C (rough estimate) |
| Dichte | 1.0630 (rough estimate) |
| Brechungsindex | -29.5 ° (C=1, EtOH) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| Löslichkeit | Aqueous Acid (Slightly, Sonicated), Chloroform (Sparingly, Heated), Methanol (Slightly)Slightly soluble in water. |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 12.51±0.10(Predicted) |
| Farbe | White to yellow |
| BRN | 2935848 |
| Hauptanwendungen | peptide synthesis |
| InChI | 1S/C8H11NO/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2/t8-/m0/s1 |
| InChIKey | IJXJGQCXFSSHNL-QMMMGPOBSA-N |
| SMILES | N[C@@H](CO)c1ccccc1 |
| CAS Datenbank | 56613-80-0(CAS DataBase Reference) |
| NIST chemische Informationen | (R)-(-)-2-phenylglycinol(56613-80-0) |
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 14 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 18-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/24477 |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 2-10 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29221980 |
| R-Sätze (R) | 34-36/37/38-23/24/25 |
| Gefahrensymbole | C,T |
| Sicherheitshinweise (S) | 22-24/25-45-36/37/39-26 |
| Lagerklasse | 11 - Combustible Solids |
Herstellung & Synthese
synthetische
D-Phenylglycinol was synthesized by reducing D-phenylglycine using a sodium borohydride-iodine system. The best reaction conditions were using tetrahydrofuran as the solvent, a 1:2 ratio of D-phenylglycine to sodium borohydride, a hydrolysis temperature of 50°C, and a reaction time of 20 hours.