71350-04-4
QUINOLINIUM, 8-HYDROXY-1-METHYL-, METHYLSULFATE, METHYLCARBAMATE
NameQUINOLINIUM, 8-HYDROXY-1-METHYL-, METHYLSULFATE, METHYLCARBAMATE
FormulaC12 H13 N2 O2 . C H3 O4 S
1Identification
【Name】
QUINOLINIUM, 8-HYDROXY-1-METHYL-, METHYLSULFATE, METHYLCARBAMATE
【CAS】
【MDL】
MFCD01685235
【English Synonyms】
【Formula】
C12 H13 N2 O2 . C H3 O4 S
【MolWeight】
328.343
【Inchi】
InChI=1S/C12H12N2O2.CH4O4S/c1-13-12(15)16-10-7-3-5-9-6-4-8-14(2)11(9)10;1-5-6(2,3)4/h3-8H,1-2H3;1H3,(H,2,3,4)
【InChIKey】
InChIKey=MVIIDVWGTPFHJE-UHFFFAOYSA-N
【SMILES】
CNC(=O)Oc1cccc2c1[n+](ccc2)C.COS(=O)(=O)[O-]
【MOL File】
QUINOLINIUM, 8-HYDRO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
QUINOLINIUM, 8-HYDROXY-1-METHYL-, METHYLSULFATE, METHYLCARBAMATE.cml