24589-41-1
1-(2-HYDROXYETHYL)-1-METHYLPIPERIDINIUM IODIDE 2-ETHYL-2-METHYLHEXANOATE
Name1-(2-HYDROXYETHYL)-1-METHYLPIPERIDINIUM IODIDE 2-ETHYL-2-METHYLHEXANOATE
pro_formulaC17 H34 N O2 . I
1Identification
【Name】
1-(2-HYDROXYETHYL)-1-METHYLPIPERIDINIUM IODIDE 2-ETHYL-2-METHYLHEXANOATE
【CAS】
【MDL】
MFCD01699767
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C17 H34 N O2 . I
【pro_molWeight】
411.361
【Inchi】
InChI=1S/C17H34NO2.HI/c1-5-7-11-17(3,6-2)16(19)20-15-14-18(4)12-9-8-10-13-18;/h5-15H2,1-4H3;1H/q+1;/p-1
【InChIKey】
InChIKey=MWVNGHBLTGJAMD-UHFFFAOYSA-M
【SMILES】
CCCCC(C)(CC)C(=O)OCC[N+]1(CCCCC1)C.[I-]
【MOL File】
1-(2-HYDROXYETHYL)-1….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:3
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1-(2-HYDROXYETHYL)-1-METHYLPIPERIDINIUM IODIDE 2-ETHYL-2-METHYLHEXANOATE.cml