336185-20-7
4-((E)-2-[4-(DIETHYLAMINO)PHENYL]ETHENYL)-1-[3-(TRIETHYLAMMONIO)PROPYL]PYRIDINIUM DIBROMIDE
Name4-((E)-2-[4-(DIETHYLAMINO)PHENYL]ETHENYL)-1-[3-(TRIETHYLAMMONIO)PROPYL]PYRIDINIUM DIBROMIDE
1Identification
【Name】
4-((E)-2-[4-(DIETHYLAMINO)PHENYL]ETHENYL)-1-[3-(TRIETHYLAMMONIO)PROPYL]PYRIDINIUM DIBROMIDE
【CAS】
【MDL】
MFCD00467816
【English Synonyms】
【Formula】
C26 H41 N3 . 2 Br
【MolWeight】
555.439
【Inchi】
InChI=1S/C26H41N3.2BrH/c1-6-28(7-2)26-16-14-24(15-17-26)12-13-25-18-21-27(22-19-25)20-11-23-29(8-3,9-4)10-5;;/h12-19,21-22H,6-11,20,23H2,1-5H3;2*1H/q+2;;/p-2
【InChIKey】
InChIKey=HLNKJDYNEWLULB-UHFFFAOYSA-L
【SMILES】
CCN(CC)c1ccc(cc1)/C=C/c2cc[n+](cc2)CCC[N+](CC)(CC)CC.[Br-].[Br-]
【MOL File】
4-((E)-2-[4-(DIETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-((E)-2-[4-(DIETHYLAMINO)PHENYL]ETHENYL)-1-[3-(TRIETHYLAMMONIO)PROPYL]PYRIDINIUM DIBROMIDE.cml