1-[4-[4-Amino-3-(trifluoromethyl)phenyl]-1-piperazinyl]ethanone supplier

Name
1-(4-(4-amino-2-(trifluoromethyl)phenyl)piperazin-1-yl)ethanone
EINECS
CAS No. 954270-68-9
Density 1.306 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₆F₃N₃O
Boiling Point 463.7 °C at 760 mmHg
Molecular Weight 287.28
Flash Point 234.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms ethanone, 1-[4-[4-amino-3-(trifluoromethyl)phenyl]-1-piperazinyl]-;
PSA 49.57000
LogP 2.54020

1-[4-[4-Amino-3-(trifluoromethyl)phenyl]-1-piperazinyl]ethanone Specification

The 1-[4-[4-Amino-3-(trifluoromethyl)phenyl]-1-piperazinyl]ethanone with the cas number 954270-68-9 is also called ethanone, 1-[4-[4-amino-3-(trifluoromethyl)phenyl]-1-piperazinyl]-. The systematic name is 4-(4-acetylpiperazin-1-yl)-2-(trifluoromethyl)aniline. Its molecular formula is C₁₃H₁₆F₃N₃O. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.65; (4)ACD/LogD (pH 7.4): 1.87; (5)ACD/BCF (pH 5.5): 9.42; (6)ACD/BCF (pH 7.4): 15.41; (7)ACD/KOC (pH 5.5): 150.35; (8)ACD/KOC (pH 7.4): 245.95; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.57 Å²; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 68.44 cm³; (15)Molar Volume: 219.8 cm³; (16)Polarizability: 27.13×10^-24cm³; (17)Surface Tension: 42.8 dyne/cm; (18)Enthalpy of Vaporization: 72.5 kJ/mol ; (19)Vapour Pressure: 8.89×10^-9 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(ccc1N)N2CCN(CC2)C(C)=O
(2)InChI: InChI=1/C13H16F3N3O/c1-9(20)18-4-6-19(7-5-18)10-2-3-12(17)11(8-10)13(14,15)16/h2-3,8H,4-7,17H2,1H3
(3)InChIKey: OZVBIFLATKLMDR-UHFFFAOYAW

Product Name

1-(4-(4-amino-2-(trifluoromethyl)phenyl)piperazin-1-yl)ethanone

1-[4-[4-Amino-3-(trifluoromethyl)phenyl]-1-piperazinyl]ethanone Specification

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