55792-23-9
N-(2-(4-HEPTYLOXYPHENYLCARBAMOYLOXY)ETHYL)PIPERIDINIUM CHLORIDE
NameN-(2-(4-HEPTYLOXYPHENYLCARBAMOYLOXY)ETHYL)PIPERIDINIUM CHLORIDE
FormulaC21 H34 N2 O3 . Cl H
1Identification
【Name】
N-(2-(4-HEPTYLOXYPHENYLCARBAMOYLOXY)ETHYL)PIPERIDINIUM CHLORIDE
【CAS】
【MDL】
MFCD01739457
【English Synonyms】
【Formula】
C21 H34 N2 O3 . Cl H
【MolWeight】
398.971
【Inchi】
InChI=1S/C21H34N2O3.ClH/c1-2-3-4-5-9-17-25-20-12-10-19(11-13-20)22-21(24)26-18-16-23-14-7-6-8-15-23;/h10-13H,2-9,14-18H2,1H3,(H,22,24);1H
【InChIKey】
InChIKey=LVZBMEOGPGFHKB-UHFFFAOYSA-N
【SMILES】
CCCCCCCOc1ccc(cc1)NC(=O)OCCN2CCCCC2.Cl
【MOL File】
N-(2-(4-HEPTYLOXYPHE….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
N-(2-(4-HEPTYLOXYPHENYLCARBAMOYLOXY)ETHYL)PIPERIDINIUM CHLORIDE.cml