17751-71-2
1-(P-CYCLOHEXYL-BETA-((2-ETHYLHEXYL)OXY)PHENETHYL)PYRIDINIUM BROMIDE
Name1-(P-CYCLOHEXYL-BETA-((2-ETHYLHEXYL)OXY)PHENETHYL)PYRIDINIUM BROMIDE
1Identification
【Name】
1-(P-CYCLOHEXYL-BETA-((2-ETHYLHEXYL)OXY)PHENETHYL)PYRIDINIUM BROMIDE
【CAS】
【MDL】
MFCD01691259
【English Synonyms】
【Formula】
C27 H40 N O . Br
【MolWeight】
474.523
【Inchi】
InChI=1S/C27H40NO.BrH/c1-3-5-12-23(4-2)22-29-27(21-28-19-10-7-11-20-28)26-17-15-25(16-18-26)24-13-8-6-9-14-24;/h7,10-11,15-20,23-24,27H,3-6,8-9,12-14,21-22H2,1-2H3;1H/q+1;/p-1
【InChIKey】
InChIKey=RUDINGFAKCICMV-UHFFFAOYSA-M
【SMILES】
CCCCC(CC)COC(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-((2-ETHYLHEXYL)OXY)PHENETHYL)PYRIDINIUM BROMIDE.cml