21199-47-3
4-INDOL-2-YL-1-(3-(TRIMETHYLAMMONIO)PROPYL)PYRIDINIUM DIBROMIDE
Name4-INDOL-2-YL-1-(3-(TRIMETHYLAMMONIO)PROPYL)PYRIDINIUM DIBROMIDE
1Identification
【Name】
4-INDOL-2-YL-1-(3-(TRIMETHYLAMMONIO)PROPYL)PYRIDINIUM DIBROMIDE
【CAS】
【MDL】
MFCD01691076
【English Synonyms】
【Formula】
C19 H25 N3 . 2 Br
【MolWeight】
455.236
【Inchi】
InChI=1S/C19H24N3.2BrH/c1-22(2,3)14-6-11-21-12-9-16(10-13-21)19-15-17-7-4-5-8-18(17)20-19;;/h4-5,7-10,12-13,15H,6,11,14H2,1-3H3;2*1H/q+1;;/p-1
【InChIKey】
InChIKey=UANVKVVDFUVFDF-UHFFFAOYSA-M
【SMILES】
C[N+](C)(C)CCC[n+]1ccc(cc1)c2cc3ccccc3[nH]2.[Br-].[Br-]
【MOL File】
4-INDOL-2-YL-1-(3-(T….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-INDOL-2-YL-1-(3-(TRIMETHYLAMMONIO)PROPYL)PYRIDINIUM DIBROMIDE.cml