21199-46-2
3-INDOL-2-YL-1-(3-(TRIMETHYLAMMONIO)PROPYL)PYRIDINIUM DIBROMIDE
Name3-INDOL-2-YL-1-(3-(TRIMETHYLAMMONIO)PROPYL)PYRIDINIUM DIBROMIDE
1Identification
【Name】
3-INDOL-2-YL-1-(3-(TRIMETHYLAMMONIO)PROPYL)PYRIDINIUM DIBROMIDE
【CAS】
【MDL】
MFCD01691075
【English Synonyms】
【Formula】
C19 H25 N3 . 2 Br
【MolWeight】
455.236
【Inchi】
InChI=1S/C19H25N3.2BrH/c1-22(2,3)13-7-12-21-11-6-9-17(15-21)19-14-16-8-4-5-10-18(16)20-19;;/h4-6,8-11,14-15,20H,7,12-13H2,1-3H3;2*1H/q+2;;/p-2
【InChIKey】
InChIKey=KIKJXWYDHGRXIN-UHFFFAOYSA-L
【SMILES】
C[N+](C)(C)CCC[n+]1cccc(c1)c2cc3ccccc3[nH]2.[Br-].[Br-]
【MOL File】
3-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
3-INDOL-2-YL-1-(3-(TRIMETHYLAMMONIO)PROPYL)PYRIDINIUM DIBROMIDE.cml