HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,2-Diphenylethylamin
AKOS BC-0994 · TIMTEC-BB SBB000367 · α-Benzylbenzylamine · 1,2-DIPHENYLETHYLAMI · 1,2-Diphenylethanamine · α-Phenylphenethylamine · 1,2-Diphenylethylamine · ALPHA-BENZYLBENZYLAMINE
Identifikatoren & physikalische Daten
| CAS No. | 25611-78-3 |
|---|---|
| Summenformel | C14H15N |
| Durchschnittliche Molmasse | 197,27 g/mol |
| Monoisotopische Masse | 197,12044948 g/mol |
| SMILES | NC(Cc1ccccc1)c1ccccc1 |
| InChIKey | DTGGNTMERRTPLR-UHFFFAOYSA-N |
| PubChem CID | 26482 |
| ChEMBL | CHEMBL351811 |
| EC No. | 247-126-4 |
| DTXSID | DTXSID20871350 |
| Lokaler Name | 1,2-Diphenylethylamin |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 166 |
| Siedepunkt | 310-311 °C750 mm Hg(lit.) |
| Dichte | 1.02 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.58(lit.) |
| Flammpunkt | >230 °F |
| pKa (Säurekonstante) | 8.78±0.10(Predicted) |
| Aggregatzustand | liquid |
| InChI | 1S/C14H15N/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11,15H2 |
| InChIKey | DTGGNTMERRTPLR-UHFFFAOYSA-N |
| SMILES | NC(Cc1ccccc1)c2ccccc2 |
| CAS Datenbank | 25611-78-3(CAS DataBase Reference) |
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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN2735 |
| Zollcode | 2921490090 |
| RTECS-Nr. | SI2299000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Gefahrenklasse | 8Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
1,2-Diphenylethylamine (cas# 25611-78-3) is used in the preparation of GDP-triazoles for inhibition of human α-1,3-fucosyltransferases.