84344-64-9
3-(3-(4-(3-(TRIFLUOROMETHYL)PHENYL)-1-PIPERAZINYL)PROPOXY)BENZALDEHYDE DIHYDROCHLORIDE
Name3-(3-(4-(3-(TRIFLUOROMETHYL)PHENYL)-1-PIPERAZINYL)PROPOXY)BENZALDEHYDE DIHYDROCHLORIDE
pro_formulaC21 H23 F3 N2 O2 . 2 Cl H
1Identification
【Name】
3-(3-(4-(3-(TRIFLUOROMETHYL)PHENYL)-1-PIPERAZINYL)PROPOXY)BENZALDEHYDE DIHYDROCHLORIDE
【CAS】
【MDL】
MFCD01666515
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C21 H23 F3 N2 O2 . 2 Cl H
【pro_molWeight】
465.341
【Inchi】
InChI=1S/C21H23F3N2O2.2ClH/c22-21(23,24)18-5-2-6-19(15-18)26-11-9-25(10-12-26)8-3-13-28-20-7-1-4-17(14-20)16-27;;/h1-2,4-7,14-16H,3,8-13H2;2*1H
【InChIKey】
InChIKey=VMHQJMYKAWWNOB-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)OCCCN2CCN(CC2)c3cccc(c3)C(F)(F)F)C=O.Cl.Cl
【MOL File】
3-(3-(4-(3-(TRIFLUOR….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-(3-(4-(3-(TRIFLUOROMETHYL)PHENYL)-1-PIPERAZINYL)PROPOXY)BENZALDEHYDE DIHYDROCHLORIDE.cml