1192483-25-2
[[(1S,2S)-2-AMINO-1,2-DIPHENYLETHYL](4-TOLUENESULFONYL)AMIDO](P-CYMENE)RUTHENIUM(II) TETRAFLUOROBORATE
Name[[(1S,2S)-2-AMINO-1,2-DIPHENYLETHYL](4-TOLUENESULFONYL)AMIDO](P-CYMENE)RUTHENIUM(II) TETRAFLUOROBORATE
FormulaC21 H21 N2 O2 Ru S . C10 H14 . B F4
1Identification
【Name】
[[(1S,2S)-2-AMINO-1,2-DIPHENYLETHYL](4-TOLUENESULFONYL)AMIDO](P-CYMENE)RUTHENIUM(II) TETRAFLUOROBORATE
【CAS】
【MDL】
MFCD17018826
【English Synonyms】
【Formula】
C21 H21 N2 O2 Ru S . C10 H14 . B F4
【MolWeight】
687.568
【Inchi】
InChI=1S/C21H21N2O2S.C10H14.BF4.Ru/c1-16-12-14-19(15-13-16)26(24,25)23-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17;1-8(2)10-6-4-9(3)5-7-10;2-1(3,4)5;/h2-15,20-21H,22H2,1H3;4-8H,1-3H3;;/q-1;;-1;+2/t20-,21-;;;/m0.../s1
【InChIKey】
InChIKey=BMEOXNQRLZPIDE-XCPIVNJJSA-N
【SMILES】
[B-](F)(F)(F)F.Cc1ccc(cc1)C(C)C.Cc1ccc(cc1)S(=O)(=O)N([C@@H](c2ccccc2)[C@H](c3ccccc3)N)[Ru+]
【MOL File】
[[(1S,2S)-2-AMINO-1,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
[[(1S,2S)-2-AMINO-1,2-DIPHENYLETHYL](4-TOLUENESULFONYL)AMIDO](P-CYMENE)RUTHENIUM(II) TETRAFLUOROBORATE.cml