56775-92-9
N-NICOTINYL-O-(P-CHLOROPHENYL)ISOBUTANOYLETHANOLAMINE HYDROCHLORIDE
NameN-NICOTINYL-O-(P-CHLOROPHENYL)ISOBUTANOYLETHANOLAMINE HYDROCHLORIDE
FormulaC18 H19 Cl N2 O4 . Cl H
1Identification
【Name】
N-NICOTINYL-O-(P-CHLOROPHENYL)ISOBUTANOYLETHANOLAMINE HYDROCHLORIDE
【CAS】
【MDL】
MFCD01756996
【English Synonyms】
【Formula】
C18 H19 Cl N2 O4 . Cl H
【MolWeight】
399.272
【Inchi】
InChI=1S/C18H19ClN2O4.ClH/c1-18(2,25-14-8-6-13(19)7-9-14)17(23)24-12-11-21-16(22)15-5-3-4-10-20-15;/h3-10H,11-12H2,1-2H3,(H,21,22);1H
【InChIKey】
InChIKey=JWGGBUJNBOIALM-UHFFFAOYSA-N
【SMILES】
CC(C)(C(=O)OCCNC(=O)c1ccccn1)Oc2ccc(cc2)Cl.Cl
【MOL File】
N-NICOTINYL-O-(P-CHL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-NICOTINYL-O-(P-CHLOROPHENYL)ISOBUTANOYLETHANOLAMINE HYDROCHLORIDE.cml