71350-00-0
QUINALDINIUM, 8-HYDROXY-1-METHYL-, METHYLSULFATE, ETHYLCARBAMATE
NameQUINALDINIUM, 8-HYDROXY-1-METHYL-, METHYLSULFATE, ETHYLCARBAMATE
FormulaC14 H17 N2 O2 . C H3 O4 S
1Identification
【Name】
QUINALDINIUM, 8-HYDROXY-1-METHYL-, METHYLSULFATE, ETHYLCARBAMATE
【CAS】
【MDL】
MFCD01686762
【English Synonyms】
【Formula】
C14 H17 N2 O2 . C H3 O4 S
【MolWeight】
356.397
【Inchi】
InChI=1S/C14H16N2O2.CH4O4S/c1-4-15-14(17)18-12-7-5-6-11-9-8-10(2)16(3)13(11)12;1-5-6(2,3)4/h5-9H,4H2,1-3H3;1H3,(H,2,3,4)
【InChIKey】
InChIKey=FUGYUKCSJJMARO-UHFFFAOYSA-N
【SMILES】
CCNC(=O)Oc1cccc2c1[n+](c(cc2)C)C.COS(=O)(=O)[O-]
【MOL File】
QUINALDINIUM, 8-HYDR….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
QUINALDINIUM, 8-HYDROXY-1-METHYL-, METHYLSULFATE, ETHYLCARBAMATE.cml