824409-64-5
4-PIPERAZIN-1-YL-2-TRIFLUOROMETHYL-BENZONITRILE HYDROCHLORIDE
Name4-PIPERAZIN-1-YL-2-TRIFLUOROMETHYL-BENZONITRILE HYDROCHLORIDE
FormulaC12 H12 F3 N3 . Cl H
1Identification
【Name】
4-PIPERAZIN-1-YL-2-TRIFLUOROMETHYL-BENZONITRILE HYDROCHLORIDE
【CAS】
【MDL】
MFCD09701331
【English Synonyms】
【Formula】
C12 H12 F3 N3 . Cl H
【MolWeight】
291.703
【Inchi】
InChI=1S/C12H12F3N3.ClH/c13-12(14,15)11-7-10(2-1-9(11)8-16)18-5-3-17-4-6-18;/h1-2,7,17H,3-6H2;1H
【InChIKey】
InChIKey=OYUNPZLUCLXIHP-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1N2CCNCC2)C(F)(F)F)C#N.Cl
【MOL File】
4-PIPERAZIN-1-YL-2-T….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-PIPERAZIN-1-YL-2-TRIFLUOROMETHYL-BENZONITRILE HYDROCHLORIDE.cml