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4-Piperidinone,1-benzoyl-

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Name

4-Piperidinone,1-benzoyl-

EINECS 246-407-9
CAS No. 24686-78-0 Density 1.188 g/cm3
PSA 37.38000 LogP 1.42960
Solubility N/A Melting Point 55-59 °C(lit.)
Formula C12H13NO2 Boiling Point 158-160 °C0.2 mm Hg(lit.)
Molecular Weight 203.241 Flash Point 175.7 °C
Transport Information N/A Appearance light yellow granular powder or granules
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 24686-78-0 (N-BENZOYL-4-PIPERIDONE) Hazard Symbols IrritantXi
Synonyms

4-Piperidone,1-benzoyl- (8CI);1-Benzoyl-4-oxopiperidine;1-Benzoyl-4-piperidinone;1-Benzoyl-4-piperidone;N-Benzoyl-4-piperidone;NSC 97564;N-Benzoylpiperidone;

Article Data 21

4-Piperidinone,1-benzoyl- Specification

The 4-Piperidinone,1-benzoyl-, with the CAS registry number 24686-78-0, is also known as N-Benzoyl-4-piperidone. It belongs to the product categories of Piperidines, Piperidones, Piperazines; Building Blocks; Heterocyclic Building Blocks; Piperidones. Its EINECS registry number is 246-407-9. This chemical's molecular formula is C12H13NO2 and molecular weight is 203.24. Its IUPAC name is called 1-benzoylpiperidin-4-one. This chemical is light yellow granular powder or granules.

Physical properties of 4-Piperidinone,1-benzoyl-: (1)ACD/LogP: -0.24; (2)ACD/LogD (pH 5.5): -0.24; (3)ACD/LogD (pH 7.4): -0.24; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 17.72; (7)ACD/KOC (pH 7.4): 17.72; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.573; (11)Molar Refractivity: 56.4 cm3; (12)Molar Volume: 171 cm3; (13)Surface Tension: 48.4 dyne/cm; (14)Density: 1.188 g/cm3; (15)Flash Point: 175.7 °C; (16)Enthalpy of Vaporization: 65.52 kJ/mol; (17)Boiling Point: 403.8 °C at 760 mmHg; (18)Vapour Pressure: 9.9E-07 mmHg at 25°C.

Uses of 4-Piperidinone,1-benzoyl-: it can be used to produce (1-benzoyl-piperidin-4-ylidene)-acetic acid ethyl ester at temperature of 0 °C. This reaction will need reagent EtONa and solvent ethanol with reaction time of 1 hour. The yield is about 98%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. You should avoid contacting it with skin and eyes.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(CCC1=O)C(=O)C2=CC=CC=C2
(2)InChI: InChI=1S/C12H13NO2/c14-11-6-8-13(9-7-11)12(15)10-4-2-1-3-5-10/h1-5H,6-9H2
(3)InChIKey: NZAXGZYPZGEVBD-UHFFFAOYSA-N

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