71349-94-5
QUINOLINIUM, 1-ETHYL-8-HYDROXY-, IODIDE, BUTYLCARBAMATE
NameQUINOLINIUM, 1-ETHYL-8-HYDROXY-, IODIDE, BUTYLCARBAMATE
1Identification
【Name】
QUINOLINIUM, 1-ETHYL-8-HYDROXY-, IODIDE, BUTYLCARBAMATE
【CAS】
【MDL】
MFCD01685214
【English Synonyms】
【Formula】
C16 H21 N2 O2 . I
【MolWeight】
400.254
【Inchi】
InChI=1S/C16H20N2O2.HI/c1-3-5-11-17-16(19)20-14-10-6-8-13-9-7-12-18(4-2)15(13)14;/h6-10,12H,3-5,11H2,1-2H3;1H
【InChIKey】
InChIKey=LAOCVWKXSPCRGX-UHFFFAOYSA-N
【SMILES】
CCCCNC(=O)Oc1cccc2c1[n+](ccc2)CC.[I-]
【MOL File】
QUINOLINIUM, 1-ETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
QUINOLINIUM, 1-ETHYL-8-HYDROXY-, IODIDE, BUTYLCARBAMATE.cml