1H-Imidazolium, 1-[2-[[2-cyano-3-[4-(dimethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]ethyl]-1-methyl-, 2-ethylhexanoate (1:1)
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![1H-Imidazolium, 1-[2-[[2-cyano-3-[4-(dimethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]ethyl]-1-methyl-, 2-ethylhexanoate (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9b3a7521305942cd904eff804a25c801.png "1H-Imidazolium, 1-[2-[[2-cyano-3-[4-(dimethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]ethyl]-1-methyl-, 2-ethylhexanoate (1:1)")
1H-Imidazolium, 1-[2-[[2-cyano-3-[4-(dimethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]ethyl]-1-methyl-, 2-ethylhexanoate (1:1)
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CAS No:
94087-17-9
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Formula:
C18H21N4O2.C8H15O2
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Chemical Name:
1H-Imidazolium, 1-[2-[[2-cyano-3-[4-(dimethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]ethyl]-1-methyl-, 2-ethylhexanoate (1:1)
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Synonyms:
1H-Imidazolium,1-[2-[[2-cyano-3-[4-(dimethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]ethyl]-1-methyl-,2-ethylhexanoate (1:1);1H-Imidazolium,1-[2-[[2-cyano-3-[4-(dimethylamino)phenyl]-1-oxo-2-propenyl]oxy]ethyl]-1-methyl-,salt with 2-ethylhexanoic acid (1:1);Hexanoic acid,2-ethyl-,ion(1-),1-[2-[[2-cyano-3-[4-(dimethylamino)phenyl]-1-oxo-2-propenyl]oxy]ethyl]-1-methyl-1H-imidazolium
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CAS No:
1H-Imidazolium, 1-[2-[[2-cyano-3-[4-(dimethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]ethyl]-1-methyl-, 2-ethylhexanoate (1:1) Basic Attributes
469.59638
469.281481
301-909-8
Computed Properties
Molecular Weight:468.6
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:11
Exact Mass:468.27365564
Monoisotopic Mass:468.27365564
Topological Polar Surface Area:106
Heavy Atom Count:34
Complexity:685
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
1H-Imidazolium, 1-[2-[[2-cyano-3-[4-(dimethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]ethyl]-1-methyl-, 2-ethylhexanoate (1:1)
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