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114655-67-3 | 3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-ethyl-, mixt. with N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitrobenzenamine
CAS No: 114655-67-3 Catalog No: AG000EXS MDL No:
Product Description
Catalog Number:
AG000EXS
Chemical Name:
3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-ethyl-, mixt. with N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitrobenzenamine
CAS Number:
114655-67-3
IUPAC Name:
3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline;5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C15H19N3O3.C13H19N3O4/c1-5-9-6-10(13(19)20)11(16-7-9)12-17-14(21)15(4,18-12)8(2)3;1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h6-8H,5H2,1-4H3,(H,19,20)(H,17,18,21);7,10,14H,5-6H2,1-4H3
InChI Key:
ISGYXDUVKFGGFM-UHFFFAOYSA-N
Properties
Complexity:
823
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
570.28g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
570.647g/mol
Monoisotopic Mass:
570.28g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
195A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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