128959-25-1
BENZENEETHANAMINE, 2-((4-METHOXYPHENYL)THIO)-N,ALPHA-DIMETHYL-, HYDROC HLORIDE
NameBENZENEETHANAMINE, 2-((4-METHOXYPHENYL)THIO)-N,ALPHA-DIMETHYL-, HYDROC HLORIDE
FormulaC17 H21 N O S . Cl H
1Identification
【Name】
BENZENEETHANAMINE, 2-((4-METHOXYPHENYL)THIO)-N,ALPHA-DIMETHYL-, HYDROC HLORIDE
【CAS】
【MDL】
MFCD01657225
【English Synonyms】
【Formula】
C17 H21 N O S . Cl H
【MolWeight】
323.886
【Inchi】
InChI=1S/C17H21NOS.ClH/c1-13(18-2)12-14-6-4-5-7-17(14)20-16-10-8-15(19-3)9-11-16;/h4-11,13,18H,12H2,1-3H3;1H
【InChIKey】
InChIKey=JUGXPWVKURHMFI-UHFFFAOYSA-N
【SMILES】
CC(Cc1ccccc1Sc2ccc(cc2)OC)NC.Cl
【MOL File】
BENZENEETHANAMINE, 2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZENEETHANAMINE, 2-((4-METHOXYPHENYL)THIO)-N,ALPHA-DIMETHYL-, HYDROC HLORIDE.cml