128959-18-2
BENZENEETHANAMINE, 2-((3,4-DIMETHOXYPHENYL)THIO)-ALPHA-METHYL-, HYDROC HLORIDE
NameBENZENEETHANAMINE, 2-((3,4-DIMETHOXYPHENYL)THIO)-ALPHA-METHYL-, HYDROC HLORIDE
FormulaC17 H21 N O2 S . Cl H
1Identification
【Name】
BENZENEETHANAMINE, 2-((3,4-DIMETHOXYPHENYL)THIO)-ALPHA-METHYL-, HYDROC HLORIDE
【CAS】
【MDL】
MFCD01657188
【English Synonyms】
【Formula】
C17 H21 N O2 S . Cl H
【MolWeight】
339.885
【Inchi】
InChI=1S/C17H21NO2S.ClH/c1-12(18)10-13-6-4-5-7-17(13)21-14-8-9-15(19-2)16(11-14)20-3;/h4-9,11-12H,10,18H2,1-3H3;1H
【InChIKey】
InChIKey=OHTKBSWZKZOJSL-UHFFFAOYSA-N
【SMILES】
CC(Cc1ccccc1Sc2ccc(c(c2)OC)OC)N.Cl
【MOL File】
BENZENEETHANAMINE, 2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZENEETHANAMINE, 2-((3,4-DIMETHOXYPHENYL)THIO)-ALPHA-METHYL-, HYDROC HLORIDE.cml