CAS 5554-55-2 2,6-Di(phenyl)-4-piperidone (HCID 2828708)

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Basic information

CAS: 5554-55-2
Standard SMILES: O=C1CC(c2ccccc2)NC(c2ccccc2)C1
InChIKey: OYKOHBSCVHNWPT-UHFFFAOYSA-N
Molecular formula: C17H17NO
Average molar mass: 251.32 g/mol

Names & identifiers

Preferred name: 2,6-Di(phenyl)-4-piperidone
IUPAC: 2,6-diphenylpiperidin-4-one
English name: 2,6-Diphenylpiperidin-4-one
Molecular formula: C17H17NO
Molecular weight: 251.32

Names & synonyms

5554-55-22,6-Diphenyl-piperidin-4-one2,6-diphenyl-4-piperidinone2,6-diphenyl-4-piperidone2,6-Diphenylpiperidine-4-one2,6-Di(phenyl)-4-piperidone4-Piperidinone, 2,6-diphenyl-6SS59A16G1J2.553.248AUNII-6SS59A16G1RefChem:197447684-398-7

Show more names

2,6-diphenylpiperidin-4-one2,6-DIPHENYL-4-PIPERIDONE HCLOprea1_196444Oprea1_494069CBDivE_011164SCHEMBL4240804OYKOHBSCVHNWPT-UHFFFAOYSA-NHMS1577O14

Database identifiers

CAS: 5554-55-2
PubChem CID: 2828708
UNII: 6SS59A16G1
EC Number: 684-398-7
Nikkaji: J2.553.248A

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 274

Physicochemical properties

Melting point: 115 · 115-117 °C(Solv: ethanol (64-17-5))
Boiling point: 415.5 · 415.5±45.0 °C(Predicted)
Density: 1.105 · 1.105±0.06 g/cm3(Predicted)
pka: 7.44 · 7.44±0.60(Predicted)
FDA UNII: 6 SS59A16G1 · 6SS59A16G1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362