73664-13-8
(2,2-DIPHENYL-5-METHYL-5-DIOXANYLMETHYL)TRIMETHYLAMMONIUM BROMIDE
Name(2,2-DIPHENYL-5-METHYL-5-DIOXANYLMETHYL)TRIMETHYLAMMONIUM BROMIDE
pro_formulaC21 H28 N O2 . Br
1Identification
【Name】
(2,2-DIPHENYL-5-METHYL-5-DIOXANYLMETHYL)TRIMETHYLAMMONIUM BROMIDE
【CAS】
【MDL】
MFCD01668985
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C21 H28 N O2 . Br
【pro_molWeight】
406.361
【Inchi】
InChI=1S/C21H28NO2.BrH/c1-20(15-22(2,3)4)16-23-21(24-17-20,18-11-7-5-8-12-18)19-13-9-6-10-14-19;/h5-14H,15-17H2,1-4H3;1H/q+1;/p-1
【InChIKey】
InChIKey=WAXRPIUDZHIYIF-UHFFFAOYSA-M
【SMILES】
CC1(COC(OC1)(c2ccccc2)c3ccccc3)C[N+](C)(C)C.[Br-]
【MOL File】
(2,2-DIPHENYL-5-METH….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:3
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
(2,2-DIPHENYL-5-METHYL-5-DIOXANYLMETHYL)TRIMETHYLAMMONIUM BROMIDE.cml