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

Name
3-(1-piperazinyl)propiophenone
EINECS 283-350-9
CAS No. 84604-68-2
Article Data2
CAS DataBase
Density 1.054 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₈N₂O
Boiling Point 365.4 °C at 760 mmHg
Molecular Weight 218.299
Flash Point 174.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Propiophenone,3-(1-piperazinyl)- (7CI);NSC 69718;
PSA 32.34000
LogP 1.43130

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

Product Name

3-(1-piperazinyl)propiophenone

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

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