123489-68-9
4,4'-BIS((2-METHYL-2,3,5,6-TETRAHYDRO-1,4-OXAZIN-4-YL)ACETYL)BIPHENYL DIMETHIOBROMIDE
Name4,4'-BIS((2-METHYL-2,3,5,6-TETRAHYDRO-1,4-OXAZIN-4-YL)ACETYL)BIPHENYL DIMETHIOBROMIDE
FormulaC28 H38 N2 O4 . 2 Br
1Identification
【Name】
4,4'-BIS((2-METHYL-2,3,5,6-TETRAHYDRO-1,4-OXAZIN-4-YL)ACETYL)BIPHENYL DIMETHIOBROMIDE
【CAS】
【MDL】
MFCD01713427
【English Synonyms】
【Formula】
C28 H38 N2 O4 . 2 Br
【MolWeight】
626.426
【Inchi】
InChI=1S/C28H38N2O4.2BrH/c1-21-17-29(3,13-15-33-21)19-27(31)25-9-5-23(6-10-25)24-7-11-26(12-8-24)28(32)20-30(4)14-16-34-22(2)18-30;;/h5-12,21-22H,13-20H2,1-4H3;2*1H/q+2;;/p-2
【InChIKey】
InChIKey=OEKRSOOXEYGGCG-UHFFFAOYSA-L
【SMILES】
CC1C[N+](CCO1)(C)CC(=O)c2ccc(cc2)c3ccc(cc3)C(=O)C[N+]4(CCOC(C4)C)C.[Br-].[Br-]
【MOL File】
4,4'-BIS((2-METHYL-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4,4'-BIS((2-METHYL-2,3,5,6-TETRAHYDRO-1,4-OXAZIN-4-YL)ACETYL)BIPHENYL DIMETHIOBROMIDE.cml