60172-01-2
4,4'-(PIMELOYLBIS(IMINO-P-PHENYLENEIMINO))BIS(1-METHYLPYRIDINIUM) DIBROMIDE
Name4,4'-(PIMELOYLBIS(IMINO-P-PHENYLENEIMINO))BIS(1-METHYLPYRIDINIUM) DIBROMIDE
FormulaC31 H36 N6 O2 . 2 Br
1Identification
【Name】
4,4'-(PIMELOYLBIS(IMINO-P-PHENYLENEIMINO))BIS(1-METHYLPYRIDINIUM) DIBROMIDE
【CAS】
【MDL】
MFCD01749583
【English Synonyms】
【Formula】
C31 H36 N6 O2 . 2 Br
【MolWeight】
684.473
【Inchi】
InChI=1S/C31H34N6O2.2BrH/c1-36-20-16-28(17-21-36)32-24-8-12-26(13-9-24)34-30(38)6-4-3-5-7-31(39)35-27-14-10-25(11-15-27)33-29-18-22-37(2)23-19-29;;/h8-23H,3-7H2,1-2H3,(H2,34,35,38,39);2*1H
【InChIKey】
InChIKey=XTPNBUJEUWMOAP-UHFFFAOYSA-N
【SMILES】
C[n+]1ccc(cc1)Nc2ccc(cc2)NC(=O)CCCCCC(=O)Nc3ccc(cc3)Nc4cc[n+](cc4)C.[Br-].[Br-]
【MOL File】
4,4'-(PIMELOYLBIS(IM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:8
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4,4'-(PIMELOYLBIS(IMINO-P-PHENYLENEIMINO))BIS(1-METHYLPYRIDINIUM) DIBROMIDE.cml