200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 123510-67-8
123510-67-8 | Imidazo[1,2-a]pyridinium, 1-methyl-2-[4-[[2-(2-pyridinyl)hydrazinylidene]methyl]phenyl]-, 4-methylbenzenesulfonate (1:1)
CAS No: 123510-67-8 Catalog No: AG000KP9 MDL No:
Product Description
Catalog Number:
AG000KP9
Chemical Name:
Imidazo[1,2-a]pyridinium, 1-methyl-2-[4-[[2-(2-pyridinyl)hydrazinylidene]methyl]phenyl]-, 4-methylbenzenesulfonate (1:1)
CAS Number:
123510-67-8
Molecular Formula:
C27H25N5O3S
Molecular Weight:
499.5841
IUPAC Name:
4-methylbenzenesulfonate;N-[[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]pyridin-2-amine
InChI:
InChI=1S/C20H18N5.C7H8O3S/c1-24-18(15-25-13-5-3-7-20(24)25)17-10-8-16(9-11-17)14-22-23-19-6-2-4-12-21-19;1-6-2-4-7(5-3-6)11(8,9)10/h2-15H,1H3,(H,21,23);2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChI Key:
OSTOUTFBXQOUCO-UHFFFAOYSA-M
SMILES:
C[n+]1c(cn2c1cccc2)c1ccc(cc1)C=NNc1ccccn1.Cc1ccc(cc1)S(=O)(=O)[O-]
Properties
Complexity:
638
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
499.168g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
499.589g/mol
Monoisotopic Mass:
499.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.