138224-69-8
1-DOCOSYL-4-(4-HYDROXYSTYRYL)PYRIDINIUM BROMIDE
Name1-DOCOSYL-4-(4-HYDROXYSTYRYL)PYRIDINIUM BROMIDE
1Identification
【Name】
1-DOCOSYL-4-(4-HYDROXYSTYRYL)PYRIDINIUM BROMIDE
【CAS】
【MDL】
MFCD00075483
【English Synonyms】
【Formula】
C35 H56 N O . Br
【MolWeight】
586.737
【Inchi】
InChI=1S/C35H55NO.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-36-31-28-34(29-32-36)23-22-33-24-26-35(37)27-25-33;/h22-29,31-32H,2-21,30H2,1H3;1H
【InChIKey】
InChIKey=UMFHSVIHWZOGQK-UHFFFAOYSA-N
【SMILES】
CCCCCCCCCCCCCCCCCCCCCC[n+]1ccc(cc1)/C=C/c2ccc(cc2)O.[Br-]
【MOL File】
1-DOCOSYL-4-(4-HYDRO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:9.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-DOCOSYL-4-(4-HYDROXYSTYRYL)PYRIDINIUM BROMIDE.cml