21199-28-0
4-(2-PHTHALIMIDOETHYL)-1-(3-(TRIMETHYLAMMONIO)PROPYL)PYRIDINIUM DIBROMIDE
Name4-(2-PHTHALIMIDOETHYL)-1-(3-(TRIMETHYLAMMONIO)PROPYL)PYRIDINIUM DIBROMIDE
FormulaC21 H27 N3 O2 . 2 Br
1Identification
【Name】
4-(2-PHTHALIMIDOETHYL)-1-(3-(TRIMETHYLAMMONIO)PROPYL)PYRIDINIUM DIBROMIDE
【CAS】
【MDL】
MFCD01749582
【English Synonyms】
【Formula】
C21 H27 N3 O2 . 2 Br
【MolWeight】
513.271
【Inchi】
InChI=1S/C21H27N3O2.2BrH/c1-24(2,3)16-6-12-22-13-9-17(10-14-22)11-15-23-20(25)18-7-4-5-8-19(18)21(23)26;;/h4-5,7-10,13-14H,6,11-12,15-16H2,1-3H3;2*1H/q+2;;/p-2
【InChIKey】
InChIKey=KUTPIPBBKMLFJK-UHFFFAOYSA-L
【SMILES】
C[N+](C)(C)CCC[n+]1ccc(cc1)CCN2C(=O)c3ccccc3C2=O.[Br-].[Br-]
【MOL File】
4-(2-PHTHALIMIDOETHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-PHTHALIMIDOETHYL)-1-(3-(TRIMETHYLAMMONIO)PROPYL)PYRIDINIUM DIBROMIDE.cml