100172-26-7
1,1'-(M-PHENYLENEBIS(IMINOCARBONYLMETHYLENE))BIS(1-METHYLPIPERIDINIUM IODIDE)
Name1,1'-(M-PHENYLENEBIS(IMINOCARBONYLMETHYLENE))BIS(1-METHYLPIPERIDINIUM IODIDE)
FormulaC22 H36 N4 O2 . 2 I
1Identification
【Name】
1,1'-(M-PHENYLENEBIS(IMINOCARBONYLMETHYLENE))BIS(1-METHYLPIPERIDINIUM IODIDE)
【CAS】
【MDL】
MFCD01748836
【English Synonyms】
【Formula】
C22 H36 N4 O2 . 2 I
【MolWeight】
642.352
【Inchi】
InChI=1S/C22H34N4O2.2HI/c1-25(12-5-3-6-13-25)17-21(27)23-19-10-9-11-20(16-19)24-22(28)18-26(2)14-7-4-8-15-26;;/h9-11,16H,3-8,12-15,17-18H2,1-2H3;2*1H
【InChIKey】
InChIKey=BRMZPHDYUWKWTM-UHFFFAOYSA-N
【SMILES】
C[N+]1(CCCCC1)CC(=O)Nc2cccc(c2)NC(=O)C[N+]3(CCCCC3)C.[I-].[I-]
【MOL File】
1,1'-(M-PHENYLENEBIS….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,1'-(M-PHENYLENEBIS(IMINOCARBONYLMETHYLENE))BIS(1-METHYLPIPERIDINIUM IODIDE).cml