102584-18-9
1,1'-(1,5-NAPHTHYLENEBIS(IMINOCARBONYLMETHYLENE))BIS(2,6-DIMETHYLPYRIDINIUM BROMIDE)
Name1,1'-(1,5-NAPHTHYLENEBIS(IMINOCARBONYLMETHYLENE))BIS(2,6-DIMETHYLPYRIDINIUM BROMIDE)
FormulaC28 H30 N4 O2 . 2 Br
1Identification
【Name】
1,1'-(1,5-NAPHTHYLENEBIS(IMINOCARBONYLMETHYLENE))BIS(2,6-DIMETHYLPYRIDINIUM BROMIDE)
【CAS】
【MDL】
MFCD01690942
【English Synonyms】
【Formula】
C28 H30 N4 O2 . 2 Br
【MolWeight】
614.379
【Inchi】
InChI=1S/C28H28N4O2.2BrH/c1-19-9-5-10-20(2)31(19)17-27(33)29-25-15-7-14-24-23(25)13-8-16-26(24)30-28(34)18-32-21(3)11-6-12-22(32)4;;/h5-16H,17-18H2,1-4H3;2*1H
【InChIKey】
InChIKey=FGLWHRZXIXTHRH-UHFFFAOYSA-N
【SMILES】
Cc1cccc([n+]1CC(=O)Nc2cccc3c2cccc3NC(=O)C[n+]4c(cccc4C)C)C.[Br-].[Br-]
【MOL File】
1,1'-(1,5-NAPHTHYLEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,1'-(1,5-NAPHTHYLENEBIS(IMINOCARBONYLMETHYLENE))BIS(2,6-DIMETHYLPYRIDINIUM BROMIDE).cml