1,3-dimethyl-7-[2-(6-methylheptan-2-ylamino)ethyl]purine-2,6-dione,hydrochloride
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![1,3-dimethyl-7-[2-(6-methylheptan-2-ylamino)ethyl]purine-2,6-dione,hydrochloride structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/fea4ee4eb14e4a3089b87220014c6988.png "1,3-dimethyl-7-[2-(6-methylheptan-2-ylamino)ethyl]purine-2,6-dione,hydrochloride")
1,3-dimethyl-7-[2-(6-methylheptan-2-ylamino)ethyl]purine-2,6-dione,hydrochloride
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CAS No:
52943-58-5
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Formula:
C17H30ClN5O2
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Chemical Name:
1,3-dimethyl-7-[2-(6-methylheptan-2-ylamino)ethyl]purine-2,6-dione,hydrochloride
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Synonyms:
1,3-dimethyl-7-[2-(6-methylheptan-2-ylamino)ethyl]purine-2,6-dione hydrochloride; Theophylline,7-(2-(1,5-dimethylhexylamino)ethyl)-,monohydrochloride; 7-(2-(1,5-Dimethylhexylamino)ethyl)theophylline monohydrochloride;
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CAS No:
1,3-dimethyl-7-[2-(6-methylheptan-2-ylamino)ethyl]purine-2,6-dione,hydrochloride Basic Attributes
371.90500
371.2088029
Computed Properties
Molecular Weight:371.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:371.2088029
Monoisotopic Mass:371.2088029
Topological Polar Surface Area:70.5
Heavy Atom Count:25
Complexity:456
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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