860649-08-7
3,5-DIMETHYL-2-(MORPHOLINOMETHYL)PHENYL 4-METHOXYBENZENESULFONATE
Name3,5-DIMETHYL-2-(MORPHOLINOMETHYL)PHENYL 4-METHOXYBENZENESULFONATE
1Identification
【Name】
3,5-DIMETHYL-2-(MORPHOLINOMETHYL)PHENYL 4-METHOXYBENZENESULFONATE
【CAS】
【MDL】
MFCD05975007
【English Synonyms】
【Formula】
C20 H25 N O5 S
【MolWeight】
391.486
【Inchi】
InChI=1S/C20H25NO5S/c1-15-12-16(2)19(14-21-8-10-25-11-9-21)20(13-15)26-27(22,23)18-6-4-17(24-3)5-7-18/h4-7,12-13H,8-11,14H2,1-3H3
【InChIKey】
InChIKey=HQEPASKUBVIPOY-UHFFFAOYSA-N
【SMILES】
Cc1cc(c(c(c1)OS(=O)(=O)c2ccc(cc2)OC)CN3CCOCC3)C
【MOL File】
3,5-DIMETHYL-2-(MORP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DIMETHYL-2-(MORPHOLINOMETHYL)PHENYL 4-METHOXYBENZENESULFONATE.cml