491861-40-6
1-[2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENYL]-4-(3-[1-[2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENYL]-4-PIPERIDYL]PROPYL)PIPERIDINE
Name1-[2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENYL]-4-(3-[1-[2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENYL]-4-PIPERIDYL]PROPYL)PIPERIDINE
1Identification
【Name】
1-[2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENYL]-4-(3-[1-[2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENYL]-4-PIPERIDYL]PROPYL)PIPERIDINE
【CAS】
【MDL】
MFCD00119393
【English Synonyms】
【Formula】
C27 H28 F6 N6 O8
【MolWeight】
678.54
【Inchi】
InChI=1S/C27H28F6N6O8/c28-26(29,30)18-12-20(36(40)41)24(21(13-18)37(42)43)34-8-4-16(5-9-34)2-1-3-17-6-10-35(11-7-17)25-22(38(44)45)14-19(27(31,32)33)15-23(25)39(46)47/h12-17H,1-11H2
【InChIKey】
InChIKey=MCPYWEANRVMFQB-UHFFFAOYSA-N
【SMILES】
c1c(cc(c(c1[N+](=O)[O-])N2CCC(CC2)CCCC3CCN(CC3)c4c(cc(cc4[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F
【MOL File】
1-[2,6-DINITRO-4-(TR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:14
XLogP3:9.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-[2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENYL]-4-(3-[1-[2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENYL]-4-PIPERIDYL]PROPYL)PIPERIDINE.cml