1-((Pyridin-4-yl)methyl)piperazine

HCID 808715CAS 62089-74-1

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Grundinformationen

Standard-SMILES: c1cc(CN2CCNCC2)ccn1
InChIKey: XZYLSJPLCLKCMR-UHFFFAOYSA-N
Summenformel: C10H15N3
Durchschnittliche Molmasse: 177,25 g/mol
Monoisotopische Masse: 177,12659748

Namen und Bezeichner

Bevorzugter Name: 1-((Pyridin-4-yl)methyl)piperazine
IUPAC: 1-(pyridin-4-ylmethyl)piperazine
Englischer Name: 1-(4-Pyridylmethyl)piperazine
Summenformel: C10H15N3
Molmasse: 177.25

Namen und Synonyme

1-[(pyridin-4-yl)methyl]piperazine1-((pyridin-4-yl)methyl)piperazineRefChem:418907671-476-01-(pyridin-4-ylmethyl)piperazine62089-74-11-(4-pyridylmethyl)piperazine(4-Pyridylmethyl)piperazineMFCD013208921-(4-pyridinylmethyl)-piperazine1-(4-pyridinylmethyl)piperazine1-[(4-Pyridyl)methyl]piperazine

Weitere Namen anzeigen

AKOS B004019AKOS BBS-00002872BUTTPARK 82\12-10ART-CHEM-BB B004019RARECHEM AH CK 0192TIMTEC-BB SBB003770Pyridylmethylpiperazine

1-Pyridin-4-ylmethyl-piperazineF2158-0093Piperazine, 1-(4-pyridinylmethyl)-1-(4-PYRIDYLMETHYL)-PIPERAZINEPiperazine,1-(4-pyridinylmethyl)-Oprea1_553077Oprea1_832933SCHEMBL209327

Datenbank-Bezeichner

CAS: 62089-74-1
PubChem CID: 808715
DTXSID: DTXSID20355605
EC Number: 671-476-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0
Polarare Oberfläche (TPSA): 28,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 13
Formalladung: 0
Komplexität: 137

Physikochemische Eigenschaften

Siedepunkt: 68 °C · 68°C 0,15mm
Dichte: 1.073 · 1.073
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Oil
pka: 9.01 · 9.01±0.10(Predicted)
Farbe: Clear Colourless to Pale Yellow
CAS Datenbank: 62089 · 62089-74-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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.