CAS 4783-65-7 1-Benzyl-2-piperidone (HCID 5170076)

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Basic information

CAS: 4783-65-7
Standard SMILES: O=C1CCCCN1Cc1ccccc1
InChIKey: MLEGMEBCXGDFQT-UHFFFAOYSA-N
Molecular formula: C12H15NO
Average molar mass: 189.25 g/mol
Monoisotopic mass: 189.1153641

Names & identifiers

Preferred name: 1-Benzyl-2-piperidone
IUPAC: 1-benzylpiperidin-2-one
English name: 1-Benzyl-2-piperidone 98+%
Molecular formula: C12H15NO
Molecular weight: 189.25

Names & synonyms

1-Benzyl-2-piperidoneRefChem:429798627-586-61-benzylpiperidin-2-one4783-65-71-(phenylmethyl)-2-piperidinoneMFCD00464162N-Benzyl-2-piperidonebenzylpiperidone1benzylpiperidonen-benzylpiperidoneN-benzyl piperidone

Show more names

1-Benzyl-2-piperidinone1-Benzyl-2-piperidone 98+%1-benzylhexahydropyridin-2-one2-Piperidinone, 1-(phenylmethyl)-

N-benzyl-piperidone1-phenylmethylpiperidone1-Phenylmethyl-2-piperidinoneA827355AKOS009157716SB41415SY083626CS-0204654

Database identifiers

CAS: 4783-65-7
PubChem CID: 5170076
DTXSID: DTXSID20409117
EC Number: 627-586-6
Nikkaji: J415.923C

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 196

Physicochemical properties

Melting point: 116 · 116-118 °C
Boiling point: 147 °C/0.125 · 147 °C/0.125 mmHg (lit.)
Density: 1.07 g/mL · 1.07 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.553(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Store at room temperature
pka: -0.44 · -0.44±0.20(Predicted)
Appearance: Colorless to light yellow Liquid
InChI: 1S/C12H15NO/c14-12-8-4-5-9-13(12)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKey: MLEGMEBCXGDFQT-UHFFFAOYSA-N
SMILES: O=C1CCCCN1Cc2ccccc2
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335

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