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1-Propanone,1-phenyl-3-(1-piperazinyl)-

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Name

1-Propanone,1-phenyl-3-(1-piperazinyl)-

EINECS 283-350-9
CAS No. 84604-68-2 Density 1.054 g/cm3
PSA 32.34000 LogP 1.43130
Solubility N/A Melting Point N/A
Formula C13H18N2O Boiling Point 365.4 °C at 760 mmHg
Molecular Weight 218.299 Flash Point 174.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 84604-68-2 (3-(1-piperazinyl)propiophenone) Hazard Symbols N/A
Synonyms

Propiophenone,3-(1-piperazinyl)- (7CI);NSC 69718;

Article Data 2

1-Propanone,1-phenyl-3-(1-piperazinyl)- Specification

The 1-Propanone,1-phenyl-3-(1-piperazinyl)-, with CAS registry number 84604-68-2, has the systematic name of 1-phenyl-3-(piperazin-1-yl)propan-1-one. And its IUPAC name is the same one. The chemical formula of this chemical is C13H18N2O. Its molecular weight is 218.29482. What's more, its EINECS is 283-350-9.

Physical properties of 1-Propanone,1-phenyl-3-(1-piperazinyl)-: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 23.55 Å2; (7)Index of Refraction: 1.533; (8)Molar Refractivity: 64.28 cm3; (9)Molar Volume: 207 cm3; (10)Polarizability: 25.48×10-24cm3; (11)Surface Tension: 38 dyne/cm; (12)Density: 1.054 g/cm3; (13)Flash Point: 174.8 °C; (14)Enthalpy of Vaporization: 61.17 kJ/mol; (15)Boiling Point: 365.4 °C at 760 mmHg; (16)Vapour Pressure: 1.57E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1)CCN2CCNCC2
(2)InChI: InChI=1/C13H18N2O/c16-13(12-4-2-1-3-5-12)6-9-15-10-7-14-8-11-15/h1-5,14H,6-11H2
(3)InChIKey: GZXSVSMPRXVXNJ-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C13H18N2O/c16-13(12-4-2-1-3-5-12)6-9-15-10-7-14-8-11-15/h1-5,14H,6-11H2
(5)Std. InChIKey: GZXSVSMPRXVXNJ-UHFFFAOYSA-N

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