HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-(4-Chlorophenyl)piperazine
NSC-126708 · AKOS BBS-00003582 · TIMTEC-BB SBB003580 · RARECHEM AH CK 0072 · 1-(4-CHLORPHENYL)PIPERAZINE · 1-(4-Chlorophenyl)Piperazone · 1-(4-CHLOROPHENYL)PIPERAZINE · 4-(4-Chlorophenyl)piperazine
Identifikatoren & physikalische Daten
| CAS No. | 38212-33-8 |
|---|---|
| Summenformel | C10H13ClN2 |
| Durchschnittliche Molmasse | 196,67 g/mol |
| Monoisotopische Masse | 196,0767261 g/mol |
| SMILES | Clc1ccc(N2CCNCC2)cc1 |
| InChIKey | UNEIHNMKASENIG-UHFFFAOYSA-N |
| PubChem CID | 97478 |
| ChEMBL | CHEMBL114478 |
| EC No. | 627-233-6 |
| DTXSID | DTXSID90191592 |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 15,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 149 |
| Arzneimittel | DEA NFLIS-Drug Category -> Piperazines (Hallucinogen)Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds |
| Schmelzpunkt | 76-79 °C |
| Siedepunkt | 113°C/0.27mm |
| Dichte | 1.1428 (rough estimate) |
| Brechungsindex | 1.5749 (estimate) |
| Lagerbedingungen | Storage temp. 2-8°C |
| Löslichkeit | DMF: 30 mg/mlDMF:PBS(pH7.2) (1:2): 0.33 mg/mlDMSO: 30 mg/mlEthanol: 30 mg/mlMethanol: 1 mg/mlIt is soluble in water. |
| pKa (Säurekonstante) | 8.88±0.10(Predicted) |
| Aggregatzustand | Solid |
| BRN | 150981 |
| InChI | 1S/C10H13ClN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2 |
| InChIKey | UNEIHNMKASENIG-UHFFFAOYSA-N |
| SMILES | Clc1ccc(cc1)N2CCNCC2 |
| CAS Datenbank | 38212-33-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 10-34 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
1-(4-Chlorophenyl)piperazine is used as a 5-HT-1 serotonin receptor agonist. It is also used as a pharmaceutical intermediate.