127876-89-5
N,N-DIMETHYL-1-(2-(PHENYLTHIO)PHENYL)-2-PROPYLAMINE S-OXIDE MALEATE
NameN,N-DIMETHYL-1-(2-(PHENYLTHIO)PHENYL)-2-PROPYLAMINE S-OXIDE MALEATE
FormulaC17 H21 N O S . C4 H4 O4
1Identification
【Name】
N,N-DIMETHYL-1-(2-(PHENYLTHIO)PHENYL)-2-PROPYLAMINE S-OXIDE MALEATE
【CAS】
【MDL】
MFCD01657172
【English Synonyms】
【Formula】
C17 H21 N O S . C4 H4 O4
【MolWeight】
403.496
【Inchi】
InChI=1S/C17H21NOS.C4H4O4/c1-14(18(2)3)13-15-9-7-8-12-17(15)20(19)16-10-5-4-6-11-16;5-3(6)1-2-4(7)8/h4-12,14H,13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
【InChIKey】
InChIKey=AVWQETRCMRFQPO-BTJKTKAUSA-N
【SMILES】
CC(Cc1ccccc1S(=O)c2ccccc2)N(C)C.C(=C\C(=O)O)\C(=O)O
【MOL File】
N,N-DIMETHYL-1-(2-(P….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N,N-DIMETHYL-1-(2-(PHENYLTHIO)PHENYL)-2-PROPYLAMINE S-OXIDE MALEATE.cml