1-(2-Pyridyl)piperazin

1-(2-Pyridyl)piperazine

HCID 94459CAS 34803-66-2

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Grundinformationen

Standard-SMILES: c1ccc(N2CCNCC2)nc1
InChIKey: GZRKXKUVVPSREJ-UHFFFAOYSA-N
Summenformel: C9H13N3
Durchschnittliche Molmasse: 163,22 g/mol
Monoisotopische Masse: 163,11094742

Überblick

Stibavirin is a member of the class of cinnamic acids that is trans-cinnamic acid substituted by a dihydroxy(oxo)-5-stibanyl group at position 3 of the phenyl ring. It has a role as an anti-HIV-1 agent. It is a member of cinnamic acids and an antimony oxoacid.

Namen und Bezeichner

Bevorzugter Name: 1-(2-Pyridyl)piperazine
IUPAC: 1-pyridin-2-ylpiperazine
Lokaler Name: 1-(2-Pyridyl)piperazin
Englischer Name: 1-(2-Pyridyl)piperazine
Summenformel: C9H13N3
Molmasse: 163.22

Namen und Synonyme

1-(2-Pyridyl)piperazine34803-66-21-(2-Pyridinyl)piperazine5IO1HZP7ZNNSC-137781DTXSID90188341NSC-26624RefChem:74210DTXCID20110832252-220-31-(pyridin-2-yl)piperazine1-Pyridin-2-yl-piperazine

Weitere Namen anzeigen

NSC13778NSC 26624NSC 137781AKOS BBS-00003613BUTTPARK 82\08-03RARECHEM AH CK 0193TIMTEC-BB SBB0064452-pyridyl piperazineLABOTEST-BB LTBB000605

1-pyridin-2-ylpiperazine2-PiperazinopyridinePiperazine, 1-(2-pyridinyl)-2-pyridylpiperazineMFCD000062162-(1-Piperazinyl)pyridine2-(Piperazin-1-yl)pyridineN-(2-pyridyl)piperazine

Datenbank-Bezeichner

CAS: 34803-66-2
PubChem CID: 94459
DTXSID: DTXSID90188341
ChEMBL: CHEMBL18094
ChEBI: CHEBI:231728
UNII: 5IO1HZP7ZN
EC Number: 252-220-3
Nikkaji: J208.913K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 28,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 132

Experimentelle und physikochemische Eigenschaften

LogP0.74

Dissociation Constants8.9

Physikochemische Eigenschaften

Schmelzpunkt: 92 · 92-94
Siedepunkt: 120 · 120-122 °C/2 mmHg (lit.)
Dichte: 1.072 g/mL · 1.072 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.595(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: Soluble in Chloroform, Methanol.
Aggregatzustand: Liquid
pka: 8.63 · 8.63±0.10(Predicted)
Farbe: Clear colorless to yellow
Wasserlöslichkeit: 500 g/L · >500 g/L (20 ºC)
BRN: 140423 · 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 · 34803-66-2(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1-(2-Pyridyl)piperazine(34803-66-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Corr. 1B (13.7%)

Sicherheitsdaten

F: 10-34
wgk: 3
ridadr: 2735
hs_code: 29339900
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
hazard_class: 8
packing_group: II
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden1-(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).