103998-45-4
4-[4-(DIMETHYLAMINO)STYRYL]-1-DOCOSYLPYRIDINIUM BROMIDE
Name4-[4-(DIMETHYLAMINO)STYRYL]-1-DOCOSYLPYRIDINIUM BROMIDE
1Identification
【Name】
4-[4-(DIMETHYLAMINO)STYRYL]-1-DOCOSYLPYRIDINIUM BROMIDE
【CAS】
【MDL】
MFCD00134323
【English Synonyms】
【Formula】
C37 H61 N2 . Br
【MolWeight】
613.807
【Inchi】
InChI=1S/C37H61N2.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-32-39-33-30-36(31-34-39)25-24-35-26-28-37(29-27-35)38(2)3;/h24-31,33-34H,4-23,32H2,1-3H3;1H/q+1;/p-1
【InChIKey】
InChIKey=MHJYTWMXELDGBE-UHFFFAOYSA-M
【SMILES】
CCCCCCCCCCCCCCCCCCCCCC[n+]1ccc(cc1)/C=C/c2ccc(cc2)N(C)C.[Br-]
【MOL File】
4-[4-(DIMETHYLAMINO)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:11.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[4-(DIMETHYLAMINO)STYRYL]-1-DOCOSYLPYRIDINIUM BROMIDE.cml