23771-14-4
3',4',5'-TRIMETHOXY-2-((ALPHA-METHYLPHENETHYL)AMINO)ACETOPHENONE HYDROBROMIDE
Name3',4',5'-TRIMETHOXY-2-((ALPHA-METHYLPHENETHYL)AMINO)ACETOPHENONE HYDROBROMIDE
FormulaC20 H25 N O4 . Br H
1Identification
【Name】
3',4',5'-TRIMETHOXY-2-((ALPHA-METHYLPHENETHYL)AMINO)ACETOPHENONE HYDROBROMIDE
【CAS】
【MDL】
MFCD01673356
【English Synonyms】
【Formula】
C20 H25 N O4 . Br H
【MolWeight】
424.332
【Inchi】
InChI=1S/C20H25NO4.BrH/c1-14(10-15-8-6-5-7-9-15)21-13-17(22)16-11-18(23-2)20(25-4)19(12-16)24-3;/h5-9,11-12,14,21H,10,13H2,1-4H3;1H
【InChIKey】
InChIKey=SHCIZOHWCGLFHY-UHFFFAOYSA-N
【SMILES】
CC(Cc1ccccc1)NCC(=O)c2cc(c(c(c2)OC)OC)OC.Br
【MOL File】
3',4',5'-TRIMETHOXY-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3',4',5'-TRIMETHOXY-2-((ALPHA-METHYLPHENETHYL)AMINO)ACETOPHENONE HYDROBROMIDE.cml