1,3-dimethyl-7-[2-[methyl(6-methylheptan-2-yl)amino]ethyl]purine-2,6-dione,iodomethane
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![1,3-dimethyl-7-[2-[methyl(6-methylheptan-2-yl)amino]ethyl]purine-2,6-dione,iodomethane structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/99b5967bbdf84ed48d7fca6f56fdb5dc.png "1,3-dimethyl-7-[2-[methyl(6-methylheptan-2-yl)amino]ethyl]purine-2,6-dione,iodomethane")
1,3-dimethyl-7-[2-[methyl(6-methylheptan-2-yl)amino]ethyl]purine-2,6-dione,iodomethane
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CAS No:
52943-56-3
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Formula:
C19H34IN5O2
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Chemical Name:
1,3-dimethyl-7-[2-[methyl(6-methylheptan-2-yl)amino]ethyl]purine-2,6-dione,iodomethane
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Synonyms:
1,3-dimethyl-7-[2-[methyl(6-methylheptan-2-yl)amino]ethyl]purine-2,6-dione; 7-(2-((1,5-Dimethylhexyl)methylamino)ethyl)theophylline compd. with methiodide; Theophylline,7-(2-((1,5-dimethylhexyl)methylamino)ethyl)-,compd. with methiodide;
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CAS No:
1,3-dimethyl-7-[2-[methyl(6-methylheptan-2-yl)amino]ethyl]purine-2,6-dione,iodomethane Basic Attributes
491.41000
491.17572
Computed Properties
Molecular Weight:491.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:491.17572
Monoisotopic Mass:491.17572
Topological Polar Surface Area:61.7
Heavy Atom Count:27
Complexity:486
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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