19143-09-0
(PHOSPHINICOBIS(IMINOTRIMETHYLENE))BIS(BENZYLDIETHYLAMMONIUM BROMIDE) P-NITROPHENYL ESTER
Name(PHOSPHINICOBIS(IMINOTRIMETHYLENE))BIS(BENZYLDIETHYLAMMONIUM BROMIDE) P-NITROPHENYL ESTER
FormulaC34 H52 N5 O4 P . 2 Br
1Identification
【Name】
(PHOSPHINICOBIS(IMINOTRIMETHYLENE))BIS(BENZYLDIETHYLAMMONIUM BROMIDE) P-NITROPHENYL ESTER
【CAS】
【MDL】
MFCD01669818
【English Synonyms】
【Formula】
C34 H52 N5 O4 P . 2 Br
【MolWeight】
785.598
【Inchi】
InChI=1S/C34H52N5O4P.2BrH/c1-5-38(6-2,29-31-17-11-9-12-18-31)27-15-25-35-44(42,43-34-23-21-33(22-24-34)37(40)41)36-26-16-28-39(7-3,8-4)30-32-19-13-10-14-20-32;;/h9-14,17-24H,5-8,15-16,25-30H2,1-4H3,(H2,35,36,42);2*1H/q+2;;/p-2
【InChIKey】
InChIKey=IIBSXRUONXELFM-UHFFFAOYSA-L
【SMILES】
CC[N+](CC)(CCCNP(=O)(NCCC[N+](CC)(CC)Cc1ccccc1)Oc2ccc(cc2)[N+](=O)[O-])Cc3ccccc3.[Br-].[Br-]
【MOL File】
(PHOSPHINICOBIS(IMIN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(PHOSPHINICOBIS(IMINOTRIMETHYLENE))BIS(BENZYLDIETHYLAMMONIUM BROMIDE) P-NITROPHENYL ESTER.cml