102207-17-0
1-(2-(N-BENZYL-P-ANISIDINO)ETHYL)-1-METHYLPIPERIDINIUM IODIDE ETHANOL
Name1-(2-(N-BENZYL-P-ANISIDINO)ETHYL)-1-METHYLPIPERIDINIUM IODIDE ETHANOL
pro_formulaC22 H31 N2 O . C2 H6 O . I
1Identification
【Name】
1-(2-(N-BENZYL-P-ANISIDINO)ETHYL)-1-METHYLPIPERIDINIUM IODIDE ETHANOL
【CAS】
【MDL】
MFCD01700037
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C22 H31 N2 O . C2 H6 O . I
【pro_molWeight】
512.468
【Inchi】
InChI=1S/C22H31N2O.C2H6O.HI/c1-24(16-7-4-8-17-24)18-15-23(19-20-9-5-3-6-10-20)21-11-13-22(25-2)14-12-21;1-2-3;/h3,5-6,9-14H,4,7-8,15-19H2,1-2H3;3H,2H2,1H3;1H/q+1;;/p-1
【InChIKey】
InChIKey=PBAIXWXLHUEKJM-UHFFFAOYSA-M
【SMILES】
CCO.C[N+]1(CCCCC1)CCN(Cc2ccccc2)c3ccc(cc3)OC.[I-]
【MOL File】
1-(2-(N-BENZYL-P-ANI….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:3
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1-(2-(N-BENZYL-P-ANISIDINO)ETHYL)-1-METHYLPIPERIDINIUM IODIDE ETHANOL.cml