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123509-62-6 | Imidazo[1,2-a]pyridinium, 2-[2-[4-[[(aminoiminomethyl)hydrazono]methyl]phenyl]ethenyl]-1-methyl-, salt with 4-methylbenzenesulfonic acid (1:1), mono(4-methylbenzenesulfonate) (9CI)
CAS No: 123509-62-6 Catalog No: AG000KPC MDL No:
Product Description
Catalog Number:
AG000KPC
Chemical Name:
Imidazo[1,2-a]pyridinium, 2-[2-[4-[[(aminoiminomethyl)hydrazono]methyl]phenyl]ethenyl]-1-methyl-, salt with 4-methylbenzenesulfonic acid (1:1), mono(4-methylbenzenesulfonate) (9CI)
CAS Number:
123509-62-6
IUPAC Name:
4-methylbenzenesulfonate;4-methylbenzenesulfonic acid;2-[[4-[2-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)ethenyl]phenyl]methylideneamino]guanidine
InChI:
InChI=1S/C18H19N6.2C7H8O3S/c1-23-16(13-24-11-3-2-4-17(23)24)10-9-14-5-7-15(8-6-14)12-21-22-18(19)20;2*1-6-2-4-7(5-3-6)11(8,9)10/h2-13H,1H3,(H4,19,20,22);2*2-5H,1H3,(H,8,9,10)/q+1;;/p-1
InChI Key:
IDPLDDGXFVSZDB-UHFFFAOYSA-M
Properties
Complexity:
887
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
662.198g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
662.78g/mol
Monoisotopic Mass:
662.198g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
214A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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