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D-N-(4-Hydroxyphenyl)glycin
(R)-2-AMino-2-(4-hydroxyphenyl)acetic acid · D-4-HYDROXYPHENYLGLYCINE · (2R)-2-amino-2-(4-hydroxyphenyl)acetic acid · H-D-PHG(4-OH)-OH · AMoxicillin EP IMpurity I · AMoxicillin Related CoMpound I · Cefadroxil impurity A · 4-HYDROXY-D-PHENYLGLYCINE
Identifikatoren & physikalische Daten
| CAS No. | 22818-40-2 |
|---|---|
| Summenformel | C8H9NO3 |
| Durchschnittliche Molmasse | 167,16 g/mol |
| Monoisotopische Masse | 167,05824315 g/mol |
| SMILES | N[C@@H](C(=O)O)c1ccc(O)cc1 |
| InChIKey | LJCWONGJFPCTTL-SSDOTTSWSA-N |
| PubChem CID | 89853 |
| ChEBI | CHEBI:15695 |
| EC No. | 245-247-7 |
| DTXSID | DTXSID401014840 |
| Lokaler Name | D-N-(4-Hydroxyphenyl)glycin |
Chemische & physikalische Eigenschaften
| XLogP | -2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 83,6 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 164 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Schmelzpunkt | 240 °C (dec.)(lit.) |
| Siedepunkt | 295.73°C (rough estimate) |
| Dichte | 1.396 |
| Dampfdruck | 0Pa at 25℃ |
| Brechungsindex | -158 ° (C=1, 1mol/L HCl) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | 5g/l5 g/L (20 ºC) |
| pKa (Säurekonstante) | 2.15±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to yellow |
| BRN | 2210998 |
| Hauptanwendungen | peptide synthesis |
| InChI | 1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m1/s1 |
| InChIKey | LJCWONGJFPCTTL-SSDOTTSWSA-N |
| SMILES | N[C@@H](C(O)=O)c1ccc(O)cc1 |
| LogP (Verteilungskoeffizient) | -2.25 |
| CAS Datenbank | 22818-40-2(CAS DataBase Reference) |
| EPA chemische Informationen | Benzeneacetic acid, .alpha.-amino-4-hydroxy-, (.alpha.R)- (22818-40-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 4.1% (2 of 49) of reports.WarningH315 (93.9%): 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 49 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: 24-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10628Benzeneacetic acid, .alpha.-amino-4-hydroxy-, (.alpha.R)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (93.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29225000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-24/25 |
| Lagerklasse | 13 - Non Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Hydroxy-D-(-)-2-phenylglycine is an compound used mainly for the synthetic preparation of β-lactam antibiotics.