HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Cyclohexylpiperazin
AKOS BBS-00003612 · BUTTPARK 82\06-06 · TIMTEC-BB SBB003875 · Avatopal impurity 47 · N-Cyclohexylpiperazine · 1-Cyclohexylpiperizine · 1-CYCLOHEXYLPIPERAZINE · Avatrombopag Impurity 9
Identifikatoren & physikalische Daten
| CAS No. | 17766-28-8 |
|---|---|
| Summenformel | C10H20N2 |
| Durchschnittliche Molmasse | 168,28 g/mol |
| Monoisotopische Masse | 168,16264864 g/mol |
| SMILES | C1CCC(N2CCNCC2)CC1 |
| InChIKey | XPDSXKIDJNKIQY-UHFFFAOYSA-N |
| PubChem CID | 87298 |
| ChEMBL | CHEMBL574182 |
| EC No. | 241-750-0 |
| DTXSID | DTXSID40170357 |
| Lokaler Name | 1-Cyclohexylpiperazin |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 15,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 124 |
| Schmelzpunkt | 28-32 °C |
| Siedepunkt | 287.25°C (rough estimate) |
| Dichte | 0.9725 (rough estimate) |
| Brechungsindex | 1.6011 |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Low Melting Solid |
| pKa (Säurekonstante) | 9.25±0.10(Predicted) |
| Farbe | Yellow-brownish |
| BRN | 106845 |
| InChI | InChI=1S/C10H20N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h10-11H,1-9H2 |
| InChIKey | XPDSXKIDJNKIQY-UHFFFAOYSA-N |
| SMILES | N1(C2CCCCC2)CCNCC1 |
| CAS Datenbank | 17766-28-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (95.3%): 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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (95.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29335990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 24/25-26 |
Anwendungen & Verwendung
Verwenden
1-Cyclohexylpiperazine is an σ1 and σ2 receptor ligands with diagnostic and therapeutic potentials.