58345-12-3
N-NICOTINYL-O-(P-CHLOROPHENOXY)ISOBUTANOYLETHANOLAMINE N-OXIDE
NameN-NICOTINYL-O-(P-CHLOROPHENOXY)ISOBUTANOYLETHANOLAMINE N-OXIDE
1Identification
【Name】
N-NICOTINYL-O-(P-CHLOROPHENOXY)ISOBUTANOYLETHANOLAMINE N-OXIDE
【CAS】
【MDL】
MFCD01756999
【English Synonyms】
【Formula】
C18 H19 Cl N2 O5
【MolWeight】
378.81
【Inchi】
InChI=1S/C18H19ClN2O5/c1-18(2,26-15-7-5-14(19)6-8-15)17(23)25-11-10-21(24)16(22)13-4-3-9-20-12-13/h3-9,12,21H,10-11H2,1-2H3
【InChIKey】
InChIKey=UAGOFSUHJRFEIA-UHFFFAOYSA-N
【SMILES】
CC(C)(C(=O)OCC[NH+](C(=O)c1cccnc1)[O-])Oc2ccc(cc2)Cl
【MOL File】
N-NICOTINYL-O-(P-CHL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-NICOTINYL-O-(P-CHLOROPHENOXY)ISOBUTANOYLETHANOLAMINE N-OXIDE.cml