HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-Benzylethylendiamin
N1-BENZYLETHANE-1,2-DIAMINE · 1,2-Ethanediamine, N-(phenylmethyl)- · N-Benzylethylenediam · N-Benzylethanediamine · N-BENZYLETHYLENEDIAMINE · Monobenzylethylendiamine · 2-aminoethyl-(benzyl)amine · Ethylenediamine, N-benzyl-
Identifikatoren & physikalische Daten
| CAS No. | 4152-09-4 |
|---|---|
| Summenformel | C9H14N2 |
| Durchschnittliche Molmasse | 150,22 g/mol |
| Monoisotopische Masse | 150,11569845 g/mol |
| SMILES | NCCNCc1ccccc1 |
| InChIKey | ACYBVNYNIZTUIL-UHFFFAOYSA-N |
| PubChem CID | 77801 |
| EC No. | 223-984-5 |
| DTXSID | DTXSID9063322 |
| Lokaler Name | N-Benzylethylendiamin |
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,1 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 87,6 |
| Siedepunkt | 162 °C/20 mmHg (lit.) |
| Dichte | 1 g/mL at 25 °C (lit.) |
| Brechungsindex | 1.5400 |
| Flammpunkt | 95°C |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 9.27±0.10(Predicted) |
| Farbe | Colorless to Light yellow |
| Löslichkeit | negligible |
| BRN | 907505 |
| InChI | InChI=1S/C9H14N2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,11H,6-8,10H2 |
| InChIKey | ACYBVNYNIZTUIL-UHFFFAOYSA-N |
| SMILES | C(NCC1=CC=CC=C1)CN |
| CAS Datenbank | 4152-09-4(CAS DataBase Reference) |
| NIST chemische Informationen | 1,2-Ethanediamine, n-(phenylmethyl)-(4152-09-4) |
| EPA chemische Informationen | 1,2-Ethanediamine, N-(phenylmethyl)- (4152-09-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (60.8%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 176 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 27-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29958N-benzylethylenediamine: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Acute Tox. 4 (60.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2735 |
| Zollcode | 29335990 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 23-26-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
N-Benzylethylenediamine may be used for the synthesis of N-benzyl-N,N′,N′-tris(tert-butyloxycarbonylmethyl)ethylenediamine and 3-benzyl-2-(phenyl-2-sulfonate)-2-imidazoline tetraheptylammonium salt.