HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-(4'-Fluorphenyl)piperazin
1-(4-Fluorophenyl)piperazine, 98% 10GR · MONA-004 · AKOS BBS-00003614 · RARECHEM AH CK 0104 · TIMTEC-BB SBB000218 · LABOTEST-BB LT00053495 · FLUOROPHENYL PIPERAZINE · p-Fluorophenylpiperazine
Identifikatoren & physikalische Daten
| CAS No. | 2252-63-3 |
|---|---|
| Summenformel | C10H13FN2 |
| Durchschnittliche Molmasse | 180,22 g/mol |
| Monoisotopische Masse | 180,10627664 g/mol |
| SMILES | Fc1ccc(N2CCNCC2)cc1 |
| InChIKey | AVJKDKWRVSSJPK-UHFFFAOYSA-N |
| PubChem CID | 75260 |
| ChEMBL | CHEMBL1184236 |
| EC No. | 218-846-6 |
| DTXSID | DTXSID50177039 |
| Lokaler Name | 1-(4'-Fluorphenyl)piperazin |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 15,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 149 |
| Arzneimittel | DEA NFLIS-Drug Category -> Piperazines (Hallucinogen)Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds |
| SpringerMaterials Properties | Chemical structure |
| Schmelzpunkt | 30-33 °C (lit.) |
| Siedepunkt | 118-123 °C/0.1 mmHg (lit.) |
| Dichte | 1.0 |
| Brechungsindex | 1.5585-1.5605 |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly)Insoluble in water. |
| Aggregatzustand | Liquid After Melting |
| pKa (Säurekonstante) | 8.93±0.10(Predicted) |
| Farbe | Clear yellow |
| BRN | 610723 |
| InChI | 1S/C10H13FN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2 |
| InChIKey | AVJKDKWRVSSJPK-UHFFFAOYSA-N |
| SMILES | Fc1ccc(cc1)N2CCNCC2 |
| CAS Datenbank | 2252-63-3(CAS DataBase Reference) |
| NIST chemische Informationen | 1-(P-fluorophenyl)piperazine(2252-63-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (10.9%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (10.9%) |
| Wassergefährdungsklasse (WGK) | 2 |
| UN-Transportnummer | 2811 |
| Zollcode | 29339900 |
| R-Sätze (R) | 22-36/37/38-20/21/22 |
| Gefahrensymbole | Xn,T,C |
| hazard_note | Toxic/Corrosive |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 8Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
1-(4-Fluorophenyl)piperazine is a major metabolite of Niaparazine, a sedative, hypnotic drug. Metabolites of Niaprazine occurred by N-dealkylation, N-dearylation, aromatic hydroxylation and N-oxidatio n.