102262-92-0
1,1'-(M-PHENYLENEBIS(OXY(2-HYDROXYTRIMETHYLENE)))BIS(1-ETHYLPIPERIDINIUM IODIDE)
Name1,1'-(M-PHENYLENEBIS(OXY(2-HYDROXYTRIMETHYLENE)))BIS(1-ETHYLPIPERIDINIUM IODIDE)
pro_formulaC26 H46 N2 O4 . 2 I
1Identification
【Name】
1,1'-(M-PHENYLENEBIS(OXY(2-HYDROXYTRIMETHYLENE)))BIS(1-ETHYLPIPERIDINIUM IODIDE)
【CAS】
【MDL】
MFCD01699647
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C26 H46 N2 O4 . 2 I
【pro_molWeight】
704.459
【Inchi】
InChI=1S/C26H46N2O4.2HI/c1-3-27(14-7-5-8-15-27)19-23(29)21-31-25-12-11-13-26(18-25)32-22-24(30)20-28(4-2)16-9-6-10-17-28;;/h11-13,18,23-24,29-30H,3-10,14-17,19-22H2,1-2H3;2*1H/q+2;;/p-2
【InChIKey】
InChIKey=QAVVUOKOAFEVTF-UHFFFAOYSA-L
【SMILES】
CC[N+]1(CCCCC1)CC(COc2cccc(c2)OCC(C[N+]3(CCCCC3)CC)O)O.[I-].[I-]
【MOL File】
1,1'-(M-PHENYLENEBIS….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:6
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1,1'-(M-PHENYLENEBIS(OXY(2-HYDROXYTRIMETHYLENE)))BIS(1-ETHYLPIPERIDINIUM IODIDE).cml