Piperazine, 2-pyridylethyl-

HCID 566605

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Grundinformationen

CAS: 53345-15-6
Standard-SMILES: c1ccc(CCN2CCNCC2)nc1
InChIKey: NJUNCRDVGUBYCB-UHFFFAOYSA-N
Summenformel: C11H17N3
Durchschnittliche Molmasse: 191,27 g/mol
Monoisotopische Masse: 191,14224756

Namen und Bezeichner

Bevorzugter Name: Piperazine, 2-pyridylethyl-
IUPAC: 1-(2-pyridin-2-ylethyl)piperazine
Englischer Name: 1-(2-Pyridin-2-yl-ethyl)-piperazine
Summenformel: C11H17N3
Molmasse: 191.27

Namen und Synonyme

Piperazine, 2-pyridylethyl-2-Pyridylethylpiperazine63732-26-3DTXSID70213160RefChem:372641DTXCID7013565153345-15-61-(2-Pyridin-2-yl-ethyl)-piperazine1-(2-(pyridin-2-yl)ethyl)piperazine1-(2-pyridin-2-ylethyl)piperazine1-[2-(2-Pyridinyl)ethyl]piperazine1-[2-(pyridin-2-yl)ethyl]piperazine

Weitere Namen anzeigen

Albb-005747AKOS BBS-00005946TIMTEC-BB SBB010070Gadobutrol Impurity 1432-[2-(Piperazin-1-yl)ethyl]pyridinePiperazine, 1-[2-(2-pyridinyl)ethyl]-

1-[2-(2-pyridyl)ethyl]piperazineMFCD017486451-(2-Pyridin-2-yl-ethyl)piperazine1-(2-(2-pyridylethyl))-piperazine1-[2-(2-pyridylethyl)]piperazine2-(2-Piperidin-1-yl-ethyl)-pyridine(2-(2-pyridyl)ethyl)piperazineSCHEMBL931507

Datenbank-Bezeichner

CAS: 53345-15-6、63732-26-3
PubChem CID: 566605
DTXSID: DTXSID70213160
EC Number: 673-691-5

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,2
Polarare Oberfläche (TPSA): 28,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 14
Formalladung: 0
Komplexität: 155

Physikochemische Eigenschaften

Siedepunkt: 306.1 · 306.1±27.0 °C(Predicted)
Dichte: 1.033 · 1.033±0.06 g/cm3(Predicted)
pka: 9.16 · 9.16±0.10(Predicted)
Aggregatzustand: Solid
CAS Datenbank: 53345 · 53345-15-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.