CAS 56243-25-5 1-Benzyl-4-cyano-4-phenylpiperidine (HCID 191408)

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Basic information

CAS: 56243-25-5
Standard SMILES: N#CC1(c2ccccc2)CCN(Cc2ccccc2)CC1
InChIKey: AUBONLVMDCVPQE-UHFFFAOYSA-N
Molecular formula: C19H20N2
Average molar mass: 276.4 g/mol
Monoisotopic mass: 276.16264864

Overview

structure

Names & identifiers

Preferred name: 1-Benzyl-4-cyano-4-phenylpiperidine
IUPAC: 1-benzyl-4-phenylpiperidine-4-carbonitrile
English name: 1-Benzyl-4-cyano-4-phenylpiperidine hydrochloride
Molecular formula: C19H20N2
Molecular weight: 276.38

Names & synonyms

56243-25-51-Benzyl-4-cyano-4-phenylpiperidine4-Piperidinecarbonitrile, 4-phenyl-1-(phenylmethyl)-BC-4-PPRefChem:4299461-Benzyl-4-phenylpiperidine-4-carbonitrile1-Benzyl-4-phenyl-4-piperidinecarbonitrileCHEMBL4955491-benzyl-4-phenyl-piperidine-4-carbonitrileNSC238321-Benzyl-4-phenylpiperidine-4-carbonitrile monohydrochloridePethidine Impurity 19

Show more names

N-BENZYL-4-CYANO-4-PHENYL PIPERIDINE1-Benzyl 4-Cyano Phenyl Piperidine Hcl1-Benzyl-4-cyano-4-phenyl-piperidin HCl1-Benzyl-4-cyano-4-pheylpiperidine Hydrochloride1-Benzyl-4-cyano-4-phenylpiperidine hydrochloride4-PHENYL-1-(PHENYLMETHYL)-4-PIPERIDINECARBONITRILE

Oprea1_757244SCHEMBL476404DTXSID50971675EINECS 275-305-71-benzyl-4-phenyl-4-cyanopiperidineBDBM50265434NSC 238324-phenyl-4-cyano-1-benzyl-piperidine

Database identifiers

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 27 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 360

Physicochemical properties

Melting point: 250 · 250-259°C
Boiling point: 430.4 · 430.4±45.0 °C(Predicted)
Density: 1.12 · 1.12±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
pka: 6.29 · 6.29±0.10(Predicted)
CAS DataBase Reference: 56243 · 56243-25-5(CAS DataBase Reference)
Symbol(GHS): 6 · GHS06
Signal word: Warning
Hazard statements: 301 · H301-H315-H319-H335
Precautionary statements: 261 · P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
Risk Statements: 20 · 20/21/22
Safety Statements: 22 · 22-36/37/39
Hazard Note: Irritant

Safety & regulation

GHS classification

GHS Classification · 4 items

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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.