HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Cyclohexylethylamin
2-cyclohexylethan-1-amine · 2-Cyclohexylethanamine · 2-CYCLOHEXYL-ETHYLAMINE · Ambal3308 · Win-5522-2 · AKOS BC-1169 · ASISCHEM Z95313 · RARECHEM AN KA 0004
Identifikatoren & physikalische Daten
| CAS No. | 4442-85-7 |
|---|---|
| Summenformel | C8H17N |
| Durchschnittliche Molmasse | 127,23 g/mol |
| Monoisotopische Masse | 127,13609954 g/mol |
| SMILES | NCCC1CCCCC1 |
| InChIKey | HFACYWDPMNWMIW-UHFFFAOYSA-N |
| PubChem CID | 20509 |
| ChEMBL | CHEMBL19428 |
| EC No. | 224-673-7 |
| DTXSID | DTXSID60196170 |
| Lokaler Name | 2-Cyclohexylethylamin |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 65 |
| Schmelzpunkt | -15°C (estimate) |
| Siedepunkt | 96°C/40mmHg(lit.) |
| Dichte | 0.8455 (estimate) |
| Brechungsindex | 1.4630-1.4670 |
| Flammpunkt | 51 °C |
| Lagerbedingungen | 2-8°C, protect from light |
| pKa (Säurekonstante) | 10+-.0.10(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Wichte | 0.87 |
| InChI | InChI=1S/C8H17N/c9-7-6-8-4-2-1-3-5-8/h8H,1-7,9H2 |
| InChIKey | HFACYWDPMNWMIW-UHFFFAOYSA-N |
| SMILES | C1(CCN)CCCCC1 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (14.3%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P337+P317, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (14.3%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| UN-Transportnummer | UN2735 |
| Zollcode | 2921.30.5000 |
| RTECS-Nr. | KR3325000 |
| R-Sätze (R) | 22-52-36 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26 |
| Gefahrenklasse | 8Acute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
In the resolution system of (RS)-1-cyclohexylethylamine (CHEA) with (S)-mandelic acid (MA), the DCR (dielectrically controlled resolution) phenomenon was clearly observed.