HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-(2-Pyridyl)piperazin
NSC13778 · NSC 26624 · NSC 137781 · AKOS BBS-00003613 · BUTTPARK 82\08-03 · RARECHEM AH CK 0193 · TIMTEC-BB SBB006445 · 2-pyridyl piperazine
Identifikatoren & physikalische Daten
| CAS No. | 34803-66-2 |
|---|---|
| Summenformel | C9H13N3 |
| Durchschnittliche Molmasse | 163,22 g/mol |
| Monoisotopische Masse | 163,11094742 g/mol |
| SMILES | c1ccc(N2CCNCC2)nc1 |
| InChIKey | GZRKXKUVVPSREJ-UHFFFAOYSA-N |
| PubChem CID | 94459 |
| ChEMBL | CHEMBL18094 |
| ChEBI | CHEBI:231728 |
| EC No. | 252-220-3 |
| DTXSID | DTXSID90188341 |
| Lokaler Name | 1-(2-Pyridyl)piperazin |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 28,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 132 |
| LogP (Verteilungskoeffizient) | 0.74 |
| Dissociation Constants | 8.9 |
| Schmelzpunkt | 92-94 |
| Siedepunkt | 120-122 °C/2 mmHg (lit.) |
| Dichte | 1.072 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.595(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Soluble in Chloroform, Methanol.>500 g/L (20 ºC) |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 8.63±0.10(Predicted) |
| Farbe | Clear colorless to yellow |
| BRN | 140423 |
| InChI | 1S/C9H13N3/c1-2-4-11-9(3-1)12-7-5-10-6-8-12/h1-4,10H,5-8H2 |
| InChIKey | GZRKXKUVVPSREJ-UHFFFAOYSA-N |
| SMILES | C1CN(CCN1)c2ccccn2 |
| CAS Datenbank | 34803-66-2(CAS DataBase Reference) |
| NIST chemische Informationen | 1-(2-Pyridyl)piperazine(34803-66-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (13.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, 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 51 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (13.7%) |
| F | 10-34 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2735 |
| Zollcode | 29339900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 8Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
1-(2-Pyridyl)piperazine is a compound that belongs to a class of selective α2-adrenoceptor antagonists. 1-(2-Pyridyl)piperazine shows sympatholytic activity. 1-(2-Pyridyl)piperazine is also a metaboli te of Azaperone (A802200).