HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-Ethylbenzylamin
N-Benzylethanamine · Ethylbenzylamine · NEBA · Benzylethylamine · N-BENZYLETHYLAMINE · N-ETHYLBENZYLAMINE · N-Benzyl-N-ethylamine · Benzylamine, N-ethyl-
Identifikatoren & physikalische Daten
| CAS No. | 14321-27-8 |
|---|---|
| Summenformel | C9H13N |
| Durchschnittliche Molmasse | 135,21 g/mol |
| Monoisotopische Masse | 135,10479942 g/mol |
| SMILES | CCNCc1ccccc1 |
| InChIKey | HVAAHUDGWQAAOJ-UHFFFAOYSA-N |
| PubChem CID | 84352 |
| ChEMBL | CHEMBL1178178 |
| EC No. | 238-265-1 |
| DTXSID | DTXSID7022259 |
| Lokaler Name | N-Ethylbenzylamin |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 12 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 74,8 |
| SpringerMaterials Properties | Dielectric constant |
| LogP (Verteilungskoeffizient) | 1.82 |
| Schmelzpunkt | 191-194 |
| Siedepunkt | 191-194 °C (lit.) |
| Dichte | 0.909 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.511(lit.) |
| Flammpunkt | 152 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,2-8°C |
| Löslichkeit | slightly soluble |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 9.77±0.10(Predicted) |
| Farbe | Clear colorless to slightly yellow |
| BRN | 386023 |
| Dielektrizitätskonstante | 4.3(20℃) |
| InChI | 1S/C9H13N/c1-2-10-8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3 |
| InChIKey | HVAAHUDGWQAAOJ-UHFFFAOYSA-N |
| SMILES | CCNCc1ccccc1 |
| LogP (Verteilungskoeffizient) | 1.82 |
| CAS Datenbank | 14321-27-8(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenemethanamine, N-ethyl-(14321-27-8) |
| EPA chemische Informationen | N-Ethylbenzylamine (14321-27-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 reports by companies from 6 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 14-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21062 |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2735 8/PG 3 |
| Zollcode | 29214980 |
| R-Sätze (R) | 34-37-52 |
| Gefahrensymbole | C |
| hazard_note | Corrosive/Air Sensitive |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
N-Ethylbenzylamine has been used to demonstrate the reactivity of NDTE (2,5-dihydroxyphenylacetic acid, 2,5-bis-tetrahydropyranyl ether p-nitrophenyl ester) and HLTE (homogentisic gamma-lactone tetrahydropyranyl ether). It has also been used to prepare 2-[(N-Benzyl, N-ethyl)amino]derivative using 2-chloro-4H-pyrido[1,2-a]pyrimidin-4-one.