102584-25-8
1,1'-(P-PHENYLENEDIMETHYLENE)BIS(4-PENTYLPYRIDINIUM BROMIDE)
Name1,1'-(P-PHENYLENEDIMETHYLENE)BIS(4-PENTYLPYRIDINIUM BROMIDE)
1Identification
【Name】
1,1'-(P-PHENYLENEDIMETHYLENE)BIS(4-PENTYLPYRIDINIUM BROMIDE)
【CAS】
【MDL】
MFCD01690918
【English Synonyms】
【Formula】
C28 H38 N2 . 2 Br
【MolWeight】
562.43
【Inchi】
InChI=1S/C28H38N2.2BrH/c1-3-5-7-9-25-15-19-29(20-16-25)23-27-11-13-28(14-12-27)24-30-21-17-26(18-22-30)10-8-6-4-2;;/h11-22H,3-10,23-24H2,1-2H3;2*1H/q+2;;/p-2
【InChIKey】
InChIKey=KHMDUHPIXQJIEX-UHFFFAOYSA-L
【SMILES】
CCCCCc1cc[n+](cc1)Cc2ccc(cc2)C[n+]3ccc(cc3)CCCCC.[Br-].[Br-]
【MOL File】
1,1'-(P-PHENYLENEDIM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,1'-(P-PHENYLENEDIMETHYLENE)BIS(4-PENTYLPYRIDINIUM BROMIDE).cml