1031-38-5
((5-(HYDROXYMETHYL)-2-METHYL-2-PHENYL-M-DIOXAN-5-YL)METHYL)TRIMETHYLAMMONIUM BROMIDE
Name((5-(HYDROXYMETHYL)-2-METHYL-2-PHENYL-M-DIOXAN-5-YL)METHYL)TRIMETHYLAMMONIUM BROMIDE
pro_formulaC16 H26 N O3 . Br
1Identification
【Name】
((5-(HYDROXYMETHYL)-2-METHYL-2-PHENYL-M-DIOXAN-5-YL)METHYL)TRIMETHYLAMMONIUM BROMIDE
【CAS】
【MDL】
MFCD01669267
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C16 H26 N O3 . Br
【pro_molWeight】
360.289
【Inchi】
InChI=1S/C16H26NO3.BrH/c1-15(14-8-6-5-7-9-14)19-12-16(11-18,13-20-15)10-17(2,3)4;/h5-9,18H,10-13H2,1-4H3;1H/q+1;/p-1
【InChIKey】
InChIKey=ZXAOAWDGSZABDD-UHFFFAOYSA-M
【SMILES】
CC1(OCC(CO1)(C[N+](C)(C)C)CO)c2ccccc2.[Br-]
【MOL File】
((5-(HYDROXYMETHYL)-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
((5-(HYDROXYMETHYL)-2-METHYL-2-PHENYL-M-DIOXAN-5-YL)METHYL)TRIMETHYLAMMONIUM BROMIDE.cml