3785-44-2
BISDEQUALINIUM DIACETATE
NameBISDEQUALINIUM DIACETATE
FormulaC40 H58 N4 . 2 C2 H3 O2
1Identification
【Name】
BISDEQUALINIUM DIACETATE
【CAS】
【MDL】
MFCD00866769
【English Synonyms】
【Formula】
C40 H58 N4 . 2 C2 H3 O2
【MolWeight】
713.014
【Inchi】
InChI=1S/C40H56N4.2C2H4O2/c1-33-31-37-35-23-15-17-25-39(35)43(33)29-21-13-9-5-6-10-14-22-30-44-34(2)32-38(36-24-16-18-26-40(36)44)42-28-20-12-8-4-3-7-11-19-27-41-37;2*1-2(3)4/h15-18,23-26,31-32H,3-14,19-22,27-30H2,1-2H3;2*1H3,(H,3,4)/b41-37+,42-38?;;
【InChIKey】
InChIKey=GCWKUHNKKWYKOP-LEPLPWDCSA-N
【SMILES】
Cc1cc2c3ccccc3[n+]1CCCCCCCCCC[n+]4c(cc(c5c4cccc5)NCCCCCCCCCCN2)C.CC(=O)[O-].CC(=O)[O-]
【MOL File】
BISDEQUALINIUM DIACE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:11.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BISDEQUALINIUM DIACETATE.cml