Basic Information | Post buying leads | Suppliers |
Name |
1-[2-(Trifluoromethyl)benzyl]piperazine |
EINECS | 301-592-6 |
CAS No. | 94022-97-6 | Density | 1.189 g/cm3 |
PSA | 15.27000 | LogP | 2.37730 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H15F3N2 | Boiling Point | 274.1 °C at 760 mmHg |
Molecular Weight | 244.26 | Flash Point | 107.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-(2-Trifluoromethylbenzyl)piperazine;1-[[2-(Trifluoromethyl)phenyl]methyl]piperazine; |
The 1-[2-(Trifluoromethyl)benzyl]piperazine, with CAS registry number 94022-97-6, has the systematic name of 1-[2-(trifluoromethyl)benzyl]piperazine. And its IUPAC name is 1-[[2-(trifluoromethyl)phenyl]methyl]piperazine. Besides this, it is also called piperazine, 1-[[2-(trifluoromethyl)phenyl]methyl]-.
Physical properties about this chemical are: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.04; (4)ACD/LogD (pH 7.4): 0.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 6.15; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 59.5 cm3; (15)Molar Volume: 205.3 cm3; (16)Polarizability: 23.59×10-24cm3; (17)Surface Tension: 32.6 dyne/cm; (18)Enthalpy of Vaporization: 51.25 kJ/mol; (19)Vapour Pressure: 0.0055 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1c(cccc1)CN2CCNCC2
(2)InChI: InChI=1/C12H15F3N2/c13-12(14,15)11-4-2-1-3-10(11)9-17-7-5-16-6-8-17/h1-4,16H,5-9H2
(3)InChIKey: MJBOPIADUICXHW-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C12H15F3N2/c13-12(14,15)11-4-2-1-3-10(11)9-17-7-5-16-6-8-17/h1-4,16H,5-9H2
(5)Std. InChIKey: MJBOPIADUICXHW-UHFFFAOYSA-N