1-(4-Pyridyl)piperazin

1-(4-Pyridyl)piperazine

HCID 70517CAS 1008-91-9

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Grundinformationen

Standard-SMILES: c1cc(N2CCNCC2)ccn1
InChIKey: OQZBAQXTXNIPRA-UHFFFAOYSA-N
Summenformel: C9H13N3
Durchschnittliche Molmasse: 163,22 g/mol
Monoisotopische Masse: 163,11094742

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 1-(4-Pyridyl)piperazine
IUPAC: 1-pyridin-4-ylpiperazine
Lokaler Name: 1-(4-Pyridyl)piperazin
Englischer Name: 1-(4-Pyridyl)piperazine
Summenformel: C9H13N3
Molmasse: 163.22

Namen und Synonyme

1-(4-Pyridyl)piperazine1008-91-9DTXSID801435201-[4-pyridyl]piperazineRefChem:426022DTXCID7066011213-764-71-(pyridin-4-yl)piperazine1-Pyridin-4-yl-piperazine1-pyridin-4-ylpiperazine4-PiperazinopyridinePIPERAZINE, 1-(4-PYRIDINYL)-

Weitere Namen anzeigen

BUTTPARK 82\08-09Pyridyl)piperazinRARECHEM AH CK 01944-pyridyl piperazineLABOTEST-BB LT002331384-(1-Piperazino)pyridine1-(4-PYRIDINYL)PIPERAZINE

4-pyridylpiperazineMFCD000407451-(4-pyridyl)-piperazineEINECS 213-764-7(4-pyridyl)piperazine4-(4-pyridyl)piperazineCHEMBL339069BDBM50106393

Datenbank-Bezeichner

CAS: 1008-91-9
PubChem CID: 70517
DTXSID: DTXSID80143520
ChEMBL: CHEMBL339069
EC Number: 213-764-7
Nikkaji: J217.122H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 28,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 126

Physikochemische Eigenschaften

Schmelzpunkt: 137 · 137-141 °C
Siedepunkt: 195 · 195-200°C 0,3mm
Dichte: 1.081 · 1.081±0.06 g/cm3(Predicted)
Flammpunkt: 195 · 195-200°C/0.3mm
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: 10.73 · 10.73±0.10(Predicted)
Farbe: White to Light yellow
Wasserlöslichkeit: Soluble in water.
BRN: 609705 · 609705
Stabilität: Air Sensitive
InChI: 1S/C9H13N3/c1-3-10-4-2-9(1)12-7-5-11-6-8-12/h1-4,11H,5-8H2
InChIKey: OQZBAQXTXNIPRA-UHFFFAOYSA-N
SMILES: C1CN(CCN1)c2ccncc2
CAS Datenbank: 1008 · 1008-91-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 3 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Sicherheitsdaten

F: 10-34
wgk: 3
ridadr: UN 3259 8/PG 2
hs_code: 29335990
risk_code: 34-36/37/38
hazard_code: C,Xi
hazard_note: Irritant
safety_code: 26-36/37/39-45-36-37/38/39
hazard_class: 8
packing_group: II
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Eye Dam. 1Skin Corr. 1B

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1-(4-Pyridyl)piperazine is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals. It is also used to produce 1-pyridin-4-yl-4-(4-vinyl-benzyl)-piperazine with 1-(chloromethyl)-4-vinylbenzene by heating.