71349-85-4
QUINOLINIUM, 1-ALLYL-8-HYDROXY-, BROMIDE, METHYLCARBAMATE
NameQUINOLINIUM, 1-ALLYL-8-HYDROXY-, BROMIDE, METHYLCARBAMATE
FormulaC14 H15 N2 O2 . Br
1Identification
【Name】
QUINOLINIUM, 1-ALLYL-8-HYDROXY-, BROMIDE, METHYLCARBAMATE
【CAS】
【MDL】
MFCD01685344
【English Synonyms】
【Formula】
C14 H15 N2 O2 . Br
【MolWeight】
323.189
【Inchi】
InChI=1S/C14H14N2O2.BrH/c1-3-9-16-10-5-7-11-6-4-8-12(13(11)16)18-14(17)15-2;/h3-8,10H,1,9H2,2H3;1H
【InChIKey】
InChIKey=XPCKQSBBYCPLPP-UHFFFAOYSA-N
【SMILES】
CNC(=O)Oc1cccc2c1[n+](ccc2)CC=C.[Br-]
【MOL File】
QUINOLINIUM, 1-ALLYL….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, 1-ALLYL-8-HYDROXY-, BROMIDE, METHYLCARBAMATE.cml