21199-29-1
4-(2-INDEN-1-YLETHYL)-1-(3-(TRIMETHYLAMMONIO)PROPYL)PYRIDINIUM DIBROMIDE
Name4-(2-INDEN-1-YLETHYL)-1-(3-(TRIMETHYLAMMONIO)PROPYL)PYRIDINIUM DIBROMIDE
1Identification
【Name】
4-(2-INDEN-1-YLETHYL)-1-(3-(TRIMETHYLAMMONIO)PROPYL)PYRIDINIUM DIBROMIDE
【CAS】
【MDL】
MFCD01691070
【English Synonyms】
【Formula】
C22 H30 N2 . 2 Br
【MolWeight】
482.301
【Inchi】
InChI=1S/C22H30N2.2BrH/c1-24(2,3)18-6-15-23-16-13-19(14-17-23)9-10-21-12-11-20-7-4-5-8-22(20)21;;/h4-5,7-8,11-14,16-17,21H,6,9-10,15,18H2,1-3H3;2*1H/q+2;;/p-2
【InChIKey】
InChIKey=GZJIADQNSYALBN-UHFFFAOYSA-L
【SMILES】
C[N+](C)(C)CCC[n+]1ccc(cc1)CCC2C=Cc3c2cccc3.[Br-].[Br-]
【MOL File】
4-(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
4-(2-INDEN-1-YLETHYL)-1-(3-(TRIMETHYLAMMONIO)PROPYL)PYRIDINIUM DIBROMIDE.cml