4-(Piperidin-4-yloxy)benzonitrile hydrochloride

HCID 17832273CAS 333954-90-8

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Grundinformationen

Standard-SMILES: Cl.N#Cc1ccc(OC2CCNCC2)cc1
InChIKey: VXGQMTUMJLRDDQ-UHFFFAOYSA-N
Summenformel: C12H15ClN2O
Durchschnittliche Molmasse: 238,71 g/mol
Monoisotopische Masse: 238,0872908

Namen und Bezeichner

Bevorzugter Name: 4-(Piperidin-4-yloxy)benzonitrile hydrochloride
IUPAC: 4-piperidin-4-yloxybenzonitrile;hydrochloride
Englischer Name: 4-(Piperidin-4-yloxy)-benzonitrile hydrochloride
Summenformel: C12H15ClN2O
Molmasse: 238.7133

Namen und Synonyme

4-(piperidin-4-yloxy)benzonitrile hydrochloride333954-90-84-(PIPERIDIN-4-YLOXY)BENZONITRILE HCLMFCD085441134-piperidin-4-yloxybenzonitrile;hydrochloride4-(Piperidin-4-yloxy)-benzonitrile hydrochlorideAR2147SCHEMBL2705400DTXSID70591172VXGQMTUMJLRDDQ-UHFFFAOYSA-NAKOS026700114CS-W018359

Weitere Namen anzeigen

4-(4-Piperidinyloxy)-benzonitrile HClBENZONITRILE,4-(4-PIPERIDINYLOXY)-,HYDROCHLORIDE (1:1)

EBC-253221SB435034-(Piperidin-4-yloxy)benzonitrile, HClAS-45281DA-22133SY1879104-(4-Cyanophenyloxy)piperidine Hydrochloride4-(4-piperidyloxy)benzonitrile;hydrochloride

Datenbank-Bezeichner

CAS: 333954-90-8
PubChem CID: 17832273
DTXSID: DTXSID70591172
EC Number: 186-786-7

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 45,1 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 16
Formalladung: 0
Komplexität: 231

Physikochemische Eigenschaften

storage temp.: Store at room temperature, keep dry and cool

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

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