128959-28-4
BENZENEETHANAMINE, 2-((2-METHOXYPHENYL)THIO)-N,N,ALPHA-TRIMETHYL-, HYD ROCHLORIDE
NameBENZENEETHANAMINE, 2-((2-METHOXYPHENYL)THIO)-N,N,ALPHA-TRIMETHYL-, HYD ROCHLORIDE
FormulaC18 H23 N O S . Cl H
1Identification
【Name】
BENZENEETHANAMINE, 2-((2-METHOXYPHENYL)THIO)-N,N,ALPHA-TRIMETHYL-, HYD ROCHLORIDE
【CAS】
【MDL】
MFCD01657229
【English Synonyms】
【Formula】
C18 H23 N O S . Cl H
【MolWeight】
337.913
【Inchi】
InChI=1S/C18H23NOS.ClH/c1-14(19(2)3)13-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)20-4;/h5-12,14H,13H2,1-4H3;1H
【InChIKey】
InChIKey=NCAPSIOMQAOOPK-UHFFFAOYSA-N
【SMILES】
CC(Cc1ccccc1Sc2ccccc2OC)N(C)C.Cl
【MOL File】
BENZENEETHANAMINE, 2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZENEETHANAMINE, 2-((2-METHOXYPHENYL)THIO)-N,N,ALPHA-TRIMETHYL-, HYD ROCHLORIDE.cml