124444-72-0
1-NICOTINOYL-4-(3-TRIFLUOROMETHYLPHENYL)PIPERAZINE DIHYDROCHLORIDE
Name1-NICOTINOYL-4-(3-TRIFLUOROMETHYLPHENYL)PIPERAZINE DIHYDROCHLORIDE
FormulaC17 H16 F3 N3 O . 2 Cl H
1Identification
【Name】
1-NICOTINOYL-4-(3-TRIFLUOROMETHYLPHENYL)PIPERAZINE DIHYDROCHLORIDE
【CAS】
【MDL】
MFCD00884848
【English Synonyms】
【Formula】
C17 H16 F3 N3 O . 2 Cl H
【MolWeight】
408.249
【Inchi】
InChI=1S/C17H16F3N3O.2ClH/c18-17(19,20)14-4-1-5-15(11-14)22-7-9-23(10-8-22)16(24)13-3-2-6-21-12-13;;/h1-6,11-12H,7-10H2;2*1H
【InChIKey】
InChIKey=NLLUBRBPXHFRLT-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)N2CCN(CC2)C(=O)c3cccnc3)C(F)(F)F.Cl.Cl
【MOL File】
1-NICOTINOYL-4-(3-TR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-NICOTINOYL-4-(3-TRIFLUOROMETHYLPHENYL)PIPERAZINE DIHYDROCHLORIDE.cml