70939-60-5
1-DECYL-1-(2-HYDROXYETHYL)PIPERIDINIUM BROMIDE O-(PENTYLOXY)CARBANILATE
Name1-DECYL-1-(2-HYDROXYETHYL)PIPERIDINIUM BROMIDE O-(PENTYLOXY)CARBANILATE
pro_formulaC29 H51 N2 O3 . Br
1Identification
【Name】
1-DECYL-1-(2-HYDROXYETHYL)PIPERIDINIUM BROMIDE O-(PENTYLOXY)CARBANILATE
【CAS】
【MDL】
MFCD01748804
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C29 H51 N2 O3 . Br
【pro_molWeight】
555.637
【Inchi】
InChI=1S/C29H50N2O3.BrH/c1-3-5-7-8-9-10-11-15-21-31(22-16-12-17-23-31)24-26-34-29(32)30-27-19-13-14-20-28(27)33-25-18-6-4-2;/h13-14,19-20H,3-12,15-18,21-26H2,1-2H3;1H
【InChIKey】
InChIKey=KRDLSMUMSPCSHB-UHFFFAOYSA-N
【SMILES】
CCCCCCCCCC[N+]1(CCCCC1)CCOC(=O)Nc2ccccc2OCCCCC.[Br-]
【MOL File】
1-DECYL-1-(2-HYDROXY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:8.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1-DECYL-1-(2-HYDROXYETHYL)PIPERIDINIUM BROMIDE O-(PENTYLOXY)CARBANILATE.cml