1-Phenylpiperidine

HCID 20038

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Basic information

CAS: 4096-20-2
Standard SMILES: c1ccc(N2CCCCC2)cc1
InChIKey: LLSKXGRDUPMXLC-UHFFFAOYSA-N
Molecular formula: C11H15N
Average molar mass: 161.24 g/mol
Monoisotopic mass: 161.12044948

Names & identifiers

Preferred name: 1-Phenylpiperidine
IUPAC: 1-phenylpiperidine
English name: N-Phenylpiperidine
Molecular formula: C11H15N
Molecular weight: 161.24

Names & synonyms

1-PHENYLPIPERIDINEN-PhenylpiperidinePiperidine, 1-phenyl-EINECS 223-848-5NSC 53427DTXSID4063294RefChem:77006DTXCID7039838223-848-5InChI=1/C11H15N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8H,2,5-6,9-10HLLSKXGRDUPMXLC-UHFFFAOYSA-N4096-20-2

Show more names

1-Phenylpiperidine>Piperidine, 1-phenyl-N-phenylhexahydropyridineN-PHENYLPIPERIDINE OR 1-PHENYLPIPERIDINE

1-Phenyl-piperidinephenylpiperidineMFCD00129777N-phenylpiperdineN-phenyl-piperidineNSC534271-phenyl piperidineN-(phenyl)piperidine

Database identifiers

CAS: 4096-20-2
PubChem CID: 20038
DTXSID: DTXSID4063294
ChEMBL: CHEMBL4439365
EC Number: 223-848-5
Nikkaji: J224.899I

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 121

Experimental & physicochemical properties

LogP2.98

Physicochemical properties

Melting point: 4.7 °C · 4.7°C
Boiling point: 258 °C · 258°C(lit.)
Density: 0.9944 · 0.9944
refractive index: 1.56 to · 1.5600 to 1.5640
storage temp.: 2 · 2-8°C, protect from light
pka: 6.22 · 6.22±0.10(Predicted)
form: clear liquid
color: Colorless to Light yellow to Light orange
NIST Chemistry Reference: N-Phenylpiperidine(4096-20-2)
EPA Substance Registry System: 1 · Piperidine, 1-phenyl- (4096-20-2)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
TSCA: TSCA listed
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.