647825-29-4
1,2-DIMETHYL-3-[4-[(3-MORPHOLINOPHENOXY)CARBONYL]BENZYL]-1H-IMIDAZOL-3-IUM CHLORIDE
Name1,2-DIMETHYL-3-[4-[(3-MORPHOLINOPHENOXY)CARBONYL]BENZYL]-1H-IMIDAZOL-3-IUM CHLORIDE
FormulaC23 H26 N3 O3 . Cl
1Identification
【Name】
1,2-DIMETHYL-3-[4-[(3-MORPHOLINOPHENOXY)CARBONYL]BENZYL]-1H-IMIDAZOL-3-IUM CHLORIDE
【CAS】
【MDL】
MFCD01566207
【English Synonyms】
【Formula】
C23 H26 N3 O3 . Cl
【MolWeight】
427.929
【Inchi】
InChI=1S/C23H26N3O3.ClH/c1-18-24(2)10-11-26(18)17-19-6-8-20(9-7-19)23(27)29-22-5-3-4-21(16-22)25-12-14-28-15-13-25;/h3-11,16H,12-15,17H2,1-2H3;1H/q+1;/p-1
【InChIKey】
InChIKey=GYULLXXTBNFGJD-UHFFFAOYSA-M
【SMILES】
Cc1n(cc[n+]1Cc2ccc(cc2)C(=O)Oc3cccc(c3)N4CCOCC4)C.[Cl-]
【MOL File】
1,2-DIMETHYL-3-[4-[(….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,2-DIMETHYL-3-[4-[(3-MORPHOLINOPHENOXY)CARBONYL]BENZYL]-1H-IMIDAZOL-3-IUM CHLORIDE.cml