4-Phenylpiperidine-4-carbonitrile hydrochloride

HCID 3084973CAS 51304-58-6

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Grundinformationen

Standard-SMILES: Cl.N#CC1(c2ccccc2)CCNCC1
InChIKey: CQPHZBOPSZGTJM-UHFFFAOYSA-N
Summenformel: C12H15ClN2
Durchschnittliche Molmasse: 222,71 g/mol
Monoisotopische Masse: 222,09237616

Namen und Bezeichner

Bevorzugter Name: 4-Phenylpiperidine-4-carbonitrile hydrochloride
IUPAC: 4-phenylpiperidine-4-carbonitrile;hydrochloride

Namen und Synonyme

4-Phenylpiperidine-4-carbonitrile hydrochloride4-Phenylpiperidine-4-carbonitrile HClNSC 63943EINECS 257-124-5DTXSID60199303DMCVVFIWYIKAEJ-UHFFFAOYSA-RefChem:526443DTXCID50121794257-124-5InChI=1/C12H14N2/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11/h1-5,14H,6-9H24-Cyano-4-phenylpiperidine hydrochloride51304-58-6

Weitere Namen anzeigen

MFCD000127754-Cyano-4-phenylpiperidine HCl4-phenylpiperidine-4-carbonitrile;hydrochloride4-Piperidinecarbonitrile, 4-phenyl-, hydrochloride (1:1)NSC-639434-Piperidinecarbonitrile, 4-phenyl-, monohydrochloride4-phenylpiperidine-4-carbonitrile, chlorideNSC63943

Datenbank-Bezeichner

CAS: 51304-58-6
PubChem CID: 3084973
DTXSID: DTXSID60199303
UNII: G4Y6EK6T5Q
EC Number: 257-124-5

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 35,8 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 15
Formalladung: 0
Komplexität: 226

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (98%): 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 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.