21270-24-6
1-(P-ISOPROPYL-BETA-(PENTYLOXY)PHENETHYL)PYRIDINIUM BROMIDE
Name1-(P-ISOPROPYL-BETA-(PENTYLOXY)PHENETHYL)PYRIDINIUM BROMIDE
1Identification
【Name】
1-(P-ISOPROPYL-BETA-(PENTYLOXY)PHENETHYL)PYRIDINIUM BROMIDE
【CAS】
【MDL】
MFCD01691036
【English Synonyms】
【Formula】
C21 H30 N O . Br
【MolWeight】
392.378
【Inchi】
InChI=1S/C21H30NO.BrH/c1-4-5-9-16-23-21(17-22-14-7-6-8-15-22)20-12-10-19(11-13-20)18(2)3;/h6-8,10-15,18,21H,4-5,9,16-17H2,1-3H3;1H/q+1;/p-1
【InChIKey】
InChIKey=GXTZJVDWUBHFJP-UHFFFAOYSA-M
【SMILES】
CCCCCOC(C[n+]1ccccc1)c2ccc(cc2)C(C)C.[Br-]
【MOL File】
1-(P-ISOPROPYL-BETA-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(P-ISOPROPYL-BETA-(PENTYLOXY)PHENETHYL)PYRIDINIUM BROMIDE.cml