71349-97-8
QUINALDINIUM, 8-HYDROXY-1-METHYL-, METHYLSULFATE, METHYLCARBAMATE
NameQUINALDINIUM, 8-HYDROXY-1-METHYL-, METHYLSULFATE, METHYLCARBAMATE
pro_formulaC13 H15 N2 O2 . C H3 O4 S
1Identification
【Name】
QUINALDINIUM, 8-HYDROXY-1-METHYL-, METHYLSULFATE, METHYLCARBAMATE
【CAS】
【MDL】
MFCD01686763
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C13 H15 N2 O2 . C H3 O4 S
【pro_molWeight】
342.37
【Inchi】
InChI=1S/C13H14N2O2.CH4O4S/c1-9-7-8-10-5-4-6-11(12(10)15(9)3)17-13(16)14-2;1-5-6(2,3)4/h4-8H,1-3H3;1H3,(H,2,3,4)
【InChIKey】
InChIKey=SWONLTVHCLUUOV-UHFFFAOYSA-N
【SMILES】
Cc1ccc2cccc(c2[n+]1C)OC(=O)NC.COS(=O)(=O)[O-]
【MOL File】
QUINALDINIUM, 8-HYDR….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
QUINALDINIUM, 8-HYDROXY-1-METHYL-, METHYLSULFATE, METHYLCARBAMATE.cml