21199-42-8
2-(2-INDEN-1-YLETHYL)-1-(3-(TRIMETHYLAMMONIO)PROPYL)PYRIDINIUM DIBROMIDE
Name2-(2-INDEN-1-YLETHYL)-1-(3-(TRIMETHYLAMMONIO)PROPYL)PYRIDINIUM DIBROMIDE
1Identification
【Name】
2-(2-INDEN-1-YLETHYL)-1-(3-(TRIMETHYLAMMONIO)PROPYL)PYRIDINIUM DIBROMIDE
【CAS】
【MDL】
MFCD01691069
【English Synonyms】
【Formula】
C22 H30 N2 . 2 Br
【MolWeight】
482.301
【Inchi】
InChI=1S/C22H30N2.2BrH/c1-24(2,3)18-8-17-23-16-7-6-10-21(23)15-14-20-13-12-19-9-4-5-11-22(19)20;;/h4-7,9-13,16,20H,8,14-15,17-18H2,1-3H3;2*1H/q+2;;/p-2
【InChIKey】
InChIKey=WZRWAWUXJZIEIJ-UHFFFAOYSA-L
【SMILES】
C[N+](C)(C)CCC[n+]1ccccc1CCC2C=Cc3c2cccc3.[Br-].[Br-]
【MOL File】
2-(2-INDEN-1-YLETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2-INDEN-1-YLETHYL)-1-(3-(TRIMETHYLAMMONIO)PROPYL)PYRIDINIUM DIBROMIDE.cml