64048-45-9
DIETHYL(2-HYDROXYETHYL)METHYLAMMONIUM IODIDE, 4-BIPHENYLYLACETATE
NameDIETHYL(2-HYDROXYETHYL)METHYLAMMONIUM IODIDE, 4-BIPHENYLYLACETATE
pro_formulaC21 H28 N O2 . I
1Identification
【Name】
DIETHYL(2-HYDROXYETHYL)METHYLAMMONIUM IODIDE, 4-BIPHENYLYLACETATE
【CAS】
【MDL】
MFCD01668532
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C21 H28 N O2 . I
【pro_molWeight】
453.357
【Inchi】
InChI=1S/C21H28NO2.HI/c1-4-22(3,5-2)15-16-24-21(23)17-18-11-13-20(14-12-18)19-9-7-6-8-10-19;/h6-14H,4-5,15-17H2,1-3H3;1H/q+1;/p-1
【InChIKey】
InChIKey=WWPDLGXXOXAQKK-UHFFFAOYSA-M
【SMILES】
CC[N+](C)(CC)CCOC(=O)Cc1ccc(cc1)c2ccccc2.[I-]
【MOL File】
DIETHYL(2-HYDROXYETH….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:3
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
DIETHYL(2-HYDROXYETHYL)METHYLAMMONIUM IODIDE, 4-BIPHENYLYLACETATE.cml