105730-57-2
1,1'-(M-PHENYLENEBIS(OXY(2-HYDROXYTRIMETHYLENE)))BIS(1-BENZYLPIPERIDINIUM CHLORIDE)
Name1,1'-(M-PHENYLENEBIS(OXY(2-HYDROXYTRIMETHYLENE)))BIS(1-BENZYLPIPERIDINIUM CHLORIDE)
pro_formulaC36 H50 N2 O4 . 2 Cl
1Identification
【Name】
1,1'-(M-PHENYLENEBIS(OXY(2-HYDROXYTRIMETHYLENE)))BIS(1-BENZYLPIPERIDINIUM CHLORIDE)
【CAS】
【MDL】
MFCD01699646
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C36 H50 N2 O4 . 2 Cl
【pro_molWeight】
645.707
【Inchi】
InChI=1S/C36H50N2O4.2ClH/c39-33(27-37(20-9-3-10-21-37)25-31-14-5-1-6-15-31)29-41-35-18-13-19-36(24-35)42-30-34(40)28-38(22-11-4-12-23-38)26-32-16-7-2-8-17-32;;/h1-2,5-8,13-19,24,33-34,39-40H,3-4,9-12,20-23,25-30H2;2*1H/q+2;;/p-2
【InChIKey】
InChIKey=DTUPRDSMMNGURO-UHFFFAOYSA-L
【SMILES】
c1ccc(cc1)C[N+]2(CCCCC2)CC(COc3cccc(c3)OCC(C[N+]4(CCCCC4)Cc5ccccc5)O)O.[Cl-].[Cl-]
【MOL File】
1,1'-(M-PHENYLENEBIS….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:6
XLogP3:7.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1,1'-(M-PHENYLENEBIS(OXY(2-HYDROXYTRIMETHYLENE)))BIS(1-BENZYLPIPERIDINIUM CHLORIDE).cml