102584-17-8
1,1'-(1,5-NAPHTHYLENEBIS(IMINOCARBONYLMETHYLENE))BIS(2,4-DIMETHYLPYRIDINIUM BROMIDE)
Name1,1'-(1,5-NAPHTHYLENEBIS(IMINOCARBONYLMETHYLENE))BIS(2,4-DIMETHYLPYRIDINIUM BROMIDE)
FormulaC28 H30 N4 O2 . 2 Br
1Identification
【Name】
1,1'-(1,5-NAPHTHYLENEBIS(IMINOCARBONYLMETHYLENE))BIS(2,4-DIMETHYLPYRIDINIUM BROMIDE)
【CAS】
【MDL】
MFCD01690941
【English Synonyms】
【Formula】
C28 H30 N4 O2 . 2 Br
【MolWeight】
614.379
【Inchi】
InChI=1S/C28H28N4O2.2BrH/c1-19-11-13-31(21(3)15-19)17-27(33)29-25-9-5-8-24-23(25)7-6-10-26(24)30-28(34)18-32-14-12-20(2)16-22(32)4;;/h5-16H,17-18H2,1-4H3;2*1H
【InChIKey】
InChIKey=UTKRPWNAMQVETO-UHFFFAOYSA-N
【SMILES】
Cc1cc[n+](c(c1)C)CC(=O)Nc2cccc3c2cccc3NC(=O)C[n+]4ccc(cc4C)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(2,4-DIMETHYLPYRIDINIUM BROMIDE).cml