104811-74-7
1,1'-(4-METHYL-M-PHENYLENEBIS(IMINOCARBONYLMETHYLENE))BIS(1-METHYLPIPERIDINIUM IODIDE)
Name1,1'-(4-METHYL-M-PHENYLENEBIS(IMINOCARBONYLMETHYLENE))BIS(1-METHYLPIPERIDINIUM IODIDE)
pro_formulaC23 H38 N4 O2 . 2 I
1Identification
【Name】
1,1'-(4-METHYL-M-PHENYLENEBIS(IMINOCARBONYLMETHYLENE))BIS(1-METHYLPIPERIDINIUM IODIDE)
【CAS】
【MDL】
MFCD01748828
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C23 H38 N4 O2 . 2 I
【pro_molWeight】
656.379
【Inchi】
InChI=1S/C23H36N4O2.2HI/c1-19-10-11-20(24-22(28)17-26(2)12-6-4-7-13-26)16-21(19)25-23(29)18-27(3)14-8-5-9-15-27;;/h10-11,16H,4-9,12-15,17-18H2,1-3H3;2*1H
【InChIKey】
InChIKey=YQOUHZBJTVIGFV-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1NC(=O)C[N+]2(CCCCC2)C)NC(=O)C[N+]3(CCCCC3)C.[I-].[I-]
【MOL File】
1,1'-(4-METHYL-M-PHE….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:6
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1,1'-(4-METHYL-M-PHENYLENEBIS(IMINOCARBONYLMETHYLENE))BIS(1-METHYLPIPERIDINIUM IODIDE).cml