Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Ethanone, 1-[4-[4-amino-2-(trifluoromethyl)phenyl]-1-piperazinyl]- |
EINECS | 604-604-1 |
CAS No. | 914348-88-2 | Density | 1.306g/cm3 |
PSA | 49.57000 | LogP | 2.54020 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H16F3N3O | Boiling Point | 463.7 °C at 760 mmHg |
Molecular Weight | 287.285 | Flash Point | 234.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Piperazine, 1-acetyl-4-[4-amino-2-(trifluoromethyl)phenyl]-(9CI);1-[4-(4-Amino-2-trifluoromethylphenyl)piperazin-1-yl]ethanone; |
Article Data | 2 |
The Ethanone, 1-[4-[4-amino-2-(trifluoromethyl)phenyl]-1-piperazinyl]-, with CAS registry number 914348-88-2, has the systematic name of 4-(4-acetylpiperazin-1-yl)-2-(trifluoromethyl)aniline. And the chemical formula of this chemical is C13H16F3N3O.
Physical properties of Ethanone, 1-[4-[4-amino-2-(trifluoromethyl)phenyl]-1-piperazinyl]-: (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: 8.89E-09 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
(4)Std. InChI: InChI=1S/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
(5)Std. InChIKey: OZVBIFLATKLMDR-UHFFFAOYSA-N