17751-69-8
1-(P-CYCLOHEXYL-BETA-(OCTYLOXY)PHENETHYL)PYRIDINIUM BROMIDE
Name1-(P-CYCLOHEXYL-BETA-(OCTYLOXY)PHENETHYL)PYRIDINIUM BROMIDE
1Identification
【Name】
1-(P-CYCLOHEXYL-BETA-(OCTYLOXY)PHENETHYL)PYRIDINIUM BROMIDE
【CAS】
【MDL】
MFCD01691261
【English Synonyms】
【Formula】
C27 H40 N O . Br
【MolWeight】
474.523
【Inchi】
InChI=1S/C27H40NO.BrH/c1-2-3-4-5-6-13-22-29-27(23-28-20-11-8-12-21-28)26-18-16-25(17-19-26)24-14-9-7-10-15-24;/h8,11-12,16-21,24,27H,2-7,9-10,13-15,22-23H2,1H3;1H/q+1;/p-1
【InChIKey】
InChIKey=JLVMFRNENDILII-UHFFFAOYSA-M
【SMILES】
CCCCCCCCOC(C[n+]1ccccc1)c2ccc(cc2)C3CCCCC3.[Br-]
【MOL File】
1-(P-CYCLOHEXYL-BETA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(P-CYCLOHEXYL-BETA-(OCTYLOXY)PHENETHYL)PYRIDINIUM BROMIDE.cml