70939-62-7
1-BENZYL-1-(2-HYDROXYETHYL)PIPERIDINIUM CHLORIDE O-(PENTYLOXY)CARBANILATE
Name1-BENZYL-1-(2-HYDROXYETHYL)PIPERIDINIUM CHLORIDE O-(PENTYLOXY)CARBANILATE
FormulaC26 H37 N2 O3 . Cl
1Identification
【Name】
1-BENZYL-1-(2-HYDROXYETHYL)PIPERIDINIUM CHLORIDE O-(PENTYLOXY)CARBANILATE
【CAS】
【MDL】
MFCD01700056
【English Synonyms】
【Formula】
C26 H37 N2 O3 . Cl
【MolWeight】
461.042
【Inchi】
InChI=1S/C26H36N2O3.ClH/c1-2-3-12-20-30-25-16-9-8-15-24(25)27-26(29)31-21-19-28(17-10-5-11-18-28)22-23-13-6-4-7-14-23;/h4,6-9,13-16H,2-3,5,10-12,17-22H2,1H3;1H
【InChIKey】
InChIKey=QYYGLJNYWGMIBV-UHFFFAOYSA-N
【SMILES】
CCCCCOc1ccccc1NC(=O)OCC[N+]2(CCCCC2)Cc3ccccc3.[Cl-]
【MOL File】
1-BENZYL-1-(2-HYDROX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-BENZYL-1-(2-HYDROXYETHYL)PIPERIDINIUM CHLORIDE O-(PENTYLOXY)CARBANILATE.cml