HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-Benzylphenethylamin
N-benzyl-2-phenylethan-1-amine · BENETHAMINE · CBI-BB ZERO/001789 · TIMTEC-BB SBB000516 · Benzylphenethylamine · Phenethylbenzylamine · N-benzylphenethylamine · N-BENZYL-2-PHENETYLAMINE
Identifikatoren & physikalische Daten
| CAS No. | 3647-71-0 |
|---|---|
| Summenformel | C15H17N |
| Durchschnittliche Molmasse | 211,3 g/mol |
| Monoisotopische Masse | 211,13609954 g/mol |
| SMILES | c1ccc(CCNCc2ccccc2)cc1 |
| InChIKey | UPABQMWFWCMOFV-UHFFFAOYSA-N |
| PubChem CID | 65055 |
| ChEMBL | CHEMBL1618762 |
| ChEBI | CHEBI:52148 |
| EC No. | 222-882-8 |
| DTXSID | DTXSID20189982 |
| Lokaler Name | N-Benzylphenethylamin |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 12 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 166 |
| Schmelzpunkt | 61-64 °C |
| Siedepunkt | 327-328 °C750 mm Hg(lit.) |
| Dichte | 1.007 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.566(lit.) |
| Flammpunkt | >230 °F |
| pKa (Säurekonstante) | 9.36±0.19(Predicted) |
| InChI | 1S/C15H17N/c1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2 |
| InChIKey | UPABQMWFWCMOFV-UHFFFAOYSA-N |
| SMILES | C(Cc1ccccc1)NCc2ccccc2 |
| CAS Datenbank | 3647-71-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (95.6%): 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 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 03-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/16726Benzeneethanamine, N-(phenylmethyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (95.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2921490090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
N-Benzyl-2-phenethylamine has been used in synthesis of dithiocarbamates.