70939-51-4
1-(2-HYDROXYETHYL)-1-METHYLPIPERIDINIUM BROMIDE O-(PENTYLOXY)CARBANILATE
Name1-(2-HYDROXYETHYL)-1-METHYLPIPERIDINIUM BROMIDE O-(PENTYLOXY)CARBANILATE
pro_formulaC20 H33 N2 O3 . Br
1Identification
【Name】
1-(2-HYDROXYETHYL)-1-METHYLPIPERIDINIUM BROMIDE O-(PENTYLOXY)CARBANILATE
【CAS】
【MDL】
MFCD01699762
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C20 H33 N2 O3 . Br
【pro_molWeight】
429.396
【Inchi】
InChI=1S/C20H32N2O3.BrH/c1-3-4-10-16-24-19-12-7-6-11-18(19)21-20(23)25-17-15-22(2)13-8-5-9-14-22;/h6-7,11-12H,3-5,8-10,13-17H2,1-2H3;1H
【InChIKey】
InChIKey=WIBZASDQNUPLIY-UHFFFAOYSA-N
【SMILES】
CCCCCOc1ccccc1NC(=O)OCC[N+]2(CCCCC2)C.[Br-]
【MOL File】
1-(2-HYDROXYETHYL)-1….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1-(2-HYDROXYETHYL)-1-METHYLPIPERIDINIUM BROMIDE O-(PENTYLOXY)CARBANILATE.cml