7-[2-(dodecylamino)ethyl]-1,3-dimethylpurine-2,6-dione
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![7-[2-(dodecylamino)ethyl]-1,3-dimethylpurine-2,6-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2e9f51e4fd6d4f01a643d935bea19133.png "7-[2-(dodecylamino)ethyl]-1,3-dimethylpurine-2,6-dione")
7-[2-(dodecylamino)ethyl]-1,3-dimethylpurine-2,6-dione
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CAS No:
52943-53-0
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Formula:
C21H37N5O2
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Chemical Name:
7-[2-(dodecylamino)ethyl]-1,3-dimethylpurine-2,6-dione
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Synonyms:
Theophylline,7-(2-(dodecylamino)ethyl); 7-(2-(Dodecylamino)ethyl)theophylline; 7-(2-dodecylamino-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione; 1H-Purine-2,6-dione,7-(2-(dodecylamino)ethyl)-3,7-dihydro-1,3-dimethyl;
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CAS No:
7-[2-(dodecylamino)ethyl]-1,3-dimethylpurine-2,6-dione Basic Attributes
391.55100
391.29472544
DTXSID30200990
2933990090
Computed Properties
Molecular Weight:391.6
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:14
Exact Mass:391.29472544
Monoisotopic Mass:391.29472544
Topological Polar Surface Area:70.5
Heavy Atom Count:28
Complexity:487
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 7-[2-(dodecylamino)ethyl]-1,3-dimethylpurine-2,6-dione
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