1-(Pyridin-3-yl)piperazine

HCID 437234CAS 67980-77-2

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Grundinformationen

Standard-SMILES: c1cncc(N2CCNCC2)c1
InChIKey: DNDJHEWLYGJJCY-UHFFFAOYSA-N
Summenformel: C9H13N3
Durchschnittliche Molmasse: 163,22 g/mol
Monoisotopische Masse: 163,11094742

Namen und Bezeichner

Bevorzugter Name: 1-(Pyridin-3-yl)piperazine
IUPAC: 1-pyridin-3-ylpiperazine
Englischer Name: 1-(3-Pyridinyl)piperazine
Summenformel: C9H13N3
Molmasse: 163.22

Namen und Synonyme

1-(pyridin-3-yl)piperazineRefChem:428558674-794-867980-77-21-Pyridin-3-yl-piperazine1-(3-pyridinyl)piperazine1-pyridin-3-ylpiperazine1-(3-pyridyl)piperazineMFCD06409182PIPERAZINE, 1-(3-PYRIDINYL)-3-pyridylpiperazine67980-77-2(free base)

Weitere Namen anzeigen

CHEMBRDG-BB 40042111-pyridin-3-ylpiperazine 2HBr4-[(Diethylamino)methyl]-4-piperidinol1-pyridin-3-ylpiperazine(SALTDATA: 2HBr)

BUTTPARK 82\08-043-piperazinylpyridine1-pyrid-3-ylpiperazine3-piperazin-4-ylpyridineN-(3-Pyridyl)piperazine1-(pyrid-3-yl)piperazine1-pyridin-3-yl piperazineSCHEMBL5109

Datenbank-Bezeichner

CAS: 67980-77-2
PubChem CID: 437234
DTXSID: DTXSID00331321
ChEMBL: CHEMBL1180399
EC Number: 674-794-8
Nikkaji: J931.352D

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: 132

Physikochemische Eigenschaften

Schmelzpunkt: 48 · 48-52°C
Siedepunkt: 314.4 · 314.4±22.0 °C(Predicted)
Dichte: 1.081 · 1.081±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
Aggregatzustand: powder
pka: 8.7 · 8.70±0.10(Predicted)
InChI: 1S/C9H13N3/c1-2-9(8-11-3-1)12-6-4-10-5-7-12/h1-3,8,10H,4-7H2
InChIKey: DNDJHEWLYGJJCY-UHFFFAOYSA-N
SMILES: N1(C2=CN=CC=C2)CCNCC1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.