17751-78-9
1-(P-CYCLOPENTYL-BETA-(OCTYLOXY)PHENETHYL)PYRIDINIUM BROMIDE
Name1-(P-CYCLOPENTYL-BETA-(OCTYLOXY)PHENETHYL)PYRIDINIUM BROMIDE
1Identification
【Name】
1-(P-CYCLOPENTYL-BETA-(OCTYLOXY)PHENETHYL)PYRIDINIUM BROMIDE
【CAS】
【MDL】
MFCD01691264
【English Synonyms】
【Formula】
C26 H38 N O . Br
【MolWeight】
460.496
【Inchi】
InChI=1S/C26H38NO.BrH/c1-2-3-4-5-6-12-21-28-26(22-27-19-10-7-11-20-27)25-17-15-24(16-18-25)23-13-8-9-14-23;/h7,10-11,15-20,23,26H,2-6,8-9,12-14,21-22H2,1H3;1H/q+1;/p-1
【InChIKey】
InChIKey=KAASFUUUXLRPQP-UHFFFAOYSA-M
【SMILES】
CCCCCCCCOC(C[n+]1ccccc1)c2ccc(cc2)C3CCCC3.[Br-]
【MOL File】
1-(P-CYCLOPENTYL-BET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(P-CYCLOPENTYL-BETA-(OCTYLOXY)PHENETHYL)PYRIDINIUM BROMIDE.cml