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Ethyl-N-(phenylmethyl)glycinat
ethyl benzylglycinate · ETHYL 2-(BENZYLAMINO)ACETATE · Ethyl N-benzylglycinate · AKOS 229 · C11H15NO2 · BZL-GLY-OET · N-BZL-GLY-OET · N-Bzl-Gly-Oet-OH
Identifikatoren & physikalische Daten
| CAS No. | 6436-90-4 |
|---|---|
| Summenformel | C11H15NO2 |
| Durchschnittliche Molmasse | 193,24 g/mol |
| Monoisotopische Masse | 193,11027872 g/mol |
| SMILES | CCOC(=O)CNCc1ccccc1 |
| InChIKey | ULOLIZHBYWAICY-UHFFFAOYSA-N |
| PubChem CID | 80908 |
| EC No. | 229-218-6 |
| DTXSID | DTXSID90214578 |
| Lokaler Name | Ethyl-N-(phenylmethyl)glycinat |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 165 |
| Stoffklassen | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
| SpringerMaterials Properties | Optical coefficient |
| Physical Description | Colorless or yellow liquid[Alfa Aesar MSDS] |
| Siedepunkt | 140-142 °C/10 mmHg (lit.) |
| Dichte | 1.031 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.506(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 6.84±0.20(Predicted) |
| Farbe | Clear colorless to light yellow |
| Löslichkeit | Not miscible or difficult to mix in water. |
| BRN | 2104816 |
| InChI | InChI=1S/C11H15NO2/c1-2-14-11(13)9-12-8-10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3 |
| InChIKey | ULOLIZHBYWAICY-UHFFFAOYSA-N |
| SMILES | C(OCC)(=O)CNCC1=CC=CC=C1 |
| CAS Datenbank | 6436-90-4(CAS DataBase Reference) |
| NIST chemische Informationen | N-Benzylglycine ethyl ester(6436-90-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | May cause irritation[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN2735 |
| Zollcode | 29224999 |
| R-Sätze (R) | 34-36/37/38-20/21/22 |
| Gefahrensymbole | C,Xi,Xn |
| Sicherheitshinweise (S) | 23-24/25-45-36/37/39-26-36 |
Anwendungen & Verwendung
Verwenden
N-Benzylglycine ethyl ester is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff field.