7-[3-(dibenzylamino)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
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![7-[3-(dibenzylamino)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/804520691dbc4b33bced77ca9f672b41.png "7-[3-(dibenzylamino)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione")
7-[3-(dibenzylamino)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
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CAS No:
5096-28-6
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Formula:
C24H27N5O3
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Chemical Name:
7-[3-(dibenzylamino)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
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Synonyms:
5096-28-6;BRN 1189060;7-(3-(Dibenzylamino)-2-hydroxypropyl)theophylline;Theophylline, 7-(3-(dibenzylamino)-2-hydroxypropyl)-;1H-Purine-2,6-dione, 7-(3-(bis(phenylmethyl)amino)-2-hydroxypropyl)-3,7-dihydro-1,3-dimethyl-;5-26-14-00053 (Beilstein Handbook Reference);DTXSID80965224;7-[3-(dibenzylamino)-2-hydroxypropyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
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CAS No:
7-[3-(dibenzylamino)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Basic Attributes
433.5 g/mol
433.21138974 g/mol
Computed Properties
Molecular Weight:433.5
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:433.21138974
Monoisotopic Mass:433.21138974
Topological Polar Surface Area:81.9
Heavy Atom Count:32
Complexity:630
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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