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55486-27-6

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Basic Information
CAS No.: 55486-27-6
Name: 1-CINNAMOYL-PIPERAZINE
Article Data: 8
Molecular Structure:
Molecular Structure of 55486-27-6 (1-CINNAMOYL-PIPERAZINE)
Formula: C13H16N2O
Molecular Weight: 216.283
Synonyms: Piperazine,1-(1-oxo-3-phenyl-2-propenyl)- (9CI);Piperazine, 1-cinnamoyl- (6CI);1-Cinnamoylpiperazine;NSC 133368;3-Phenyl-1-(piperazin-1-yl)prop-2-en-1-one;
Density: 1.116 g/cm3
Boiling Point: 420.5 °C at 760 mmHg
Flash Point: 208.1 °C
Hazard Symbols: IrritantXi
PSA: 32.34000
LogP: 1.39830
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Specification

The 2-Propen-1-one,3-phenyl-1-(1-piperazinyl)-, with the CAS registry number 55486-27-6, is also known as 1-Cinnamoyl-piperazine. It belongs to the product category of Piperazines. This chemical's molecular formula is C13H16N2O and molecular weight is 216.28. What's more, its systematic name is 3-Phenyl-1-(piperazin-1-yl)prop-2-en-1-one.

Physical properties of 2-Propen-1-one,3-phenyl-1-(1-piperazinyl)- are: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 23.55 Å2; (7)Index of Refraction: 1.59; (8)Molar Refractivity: 65.39 cm3; (9)Molar Volume: 193.6 cm3; (10)Polarizability: 25.92×10-24 cm3; (11)Surface Tension: 45.1 dyne/cm; (12)Density: 1.116 g/cm3; (13)Flash Point: 208.1 °C; (14)Enthalpy of Vaporization: 67.44 kJ/mol; (15)Boiling Point: 420.5 °C at 760 mmHg; (16)Vapour Pressure: 2.8E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(CCN1)C(=O)C=CC2=CC=CC=C2
(2)InChI: InChI=1S/C13H16N2O/c16-13(15-10-8-14-9-11-15)7-6-12-4-2-1-3-5-12/h1-7,14H,8-11H2
(3)InChIKey: DLCYXQODDJUHQL-UHFFFAOYSA-N