128959-29-5
BENZENEETHANAMINE, 2-((4-METHOXYPHENYL)THIO)-N,N,ALPHA-TRIMETHYL-, ETH ANEDIOATE (1:1)
NameBENZENEETHANAMINE, 2-((4-METHOXYPHENYL)THIO)-N,N,ALPHA-TRIMETHYL-, ETH ANEDIOATE (1:1)
FormulaC18 H23 N O S . C2 H2 O4
1Identification
【Name】
BENZENEETHANAMINE, 2-((4-METHOXYPHENYL)THIO)-N,N,ALPHA-TRIMETHYL-, ETH ANEDIOATE (1:1)
【CAS】
【MDL】
MFCD01657228
【English Synonyms】
【Formula】
C18 H23 N O S . C2 H2 O4
【MolWeight】
391.486
【Inchi】
InChI=1S/C18H23NOS.C2H2O4/c1-14(19(2)3)13-15-7-5-6-8-18(15)21-17-11-9-16(20-4)10-12-17;3-1(4)2(5)6/h5-12,14H,13H2,1-4H3;(H,3,4)(H,5,6)
【InChIKey】
InChIKey=LHUKKPCEPBLUMR-UHFFFAOYSA-N
【SMILES】
CC(Cc1ccccc1Sc2ccc(cc2)OC)N(C)C.C(=O)(C(=O)O)O
【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-((4-METHOXYPHENYL)THIO)-N,N,ALPHA-TRIMETHYL-, ETH ANEDIOATE (1:1).cml