4-Piperidinecarbonitrile hydrochloride

HCID 22744637

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Grundinformationen

CAS: 240401-22-3
Standard-SMILES: Cl.N#CC1CCNCC1
InChIKey: PKMPMUHWHIIFBJ-UHFFFAOYSA-N
Summenformel: C6H11ClN2
Durchschnittliche Molmasse: 146,62 g/mol
Monoisotopische Masse: 146,06107603

Namen und Bezeichner

Bevorzugter Name: 4-Piperidinecarbonitrile hydrochloride
IUPAC: piperidine-4-carbonitrile;hydrochloride
Englischer Name: 4-CYANOPIPERIDINE HCL
Summenformel: C6H11ClN2
Molmasse: 146.62

Namen und Synonyme

4-piperidinecarbonitrile hydrochlorideRefChem:526494681-056-9piperidine-4-carbonitrile hydrochloride240401-22-34-cyanopiperidine HCl4-CYANOPIPERIDINE HYDROCHLORIDEMFCD09037930piperidine-4-carbonitrile;hydrochloride4-Piperidinecarbonitrile, monohydrochloride4-Cyanopiperidine (hydrochloride)4-Cyano-piperidine hydrochloride

Weitere Namen anzeigen

8. 4-Cyanopiperidine hydrochloride-4-CYANOPIPERIDINE HCL 240401-22-34-Piperidinecarbonitrile hydrochloride(1:1)

piperidine-4-carbonitrile,hydrochloride4-cyanopiperidinium chlorideM7HMB74PLSSCHEMBL1513767DTXSID30628014PKMPMUHWHIIFBJ-UHFFFAOYSA-N4-cyanopiperidine hydrochloride saltpiperidine-4-carbonitrilehydrochloride

Datenbank-Bezeichner

CAS: 240401-22-3
PubChem CID: 22744637
DTXSID: DTXSID30628014
UNII: M7HMB74PLS
EC Number: 681-056-9

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 35,8 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 105

Physikochemische Eigenschaften

storage temp.: Inert atmosphere,Room Temperature
InChI: InChI=1S/C6H10N2.ClH/c7-5-6-1-3-8-4-2-6;/h6,8H,1-4H2;1H
InChIKey: PKMPMUHWHIIFBJ-UHFFFAOYSA-N
SMILES: C(C1CCNCC1)#N.Cl
CAS Datenbank: 240401 · 240401-22-3

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.