7-[2-(hexadecylamino)ethyl]-1,3-dimethylpurine-2,6-dione
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![7-[2-(hexadecylamino)ethyl]-1,3-dimethylpurine-2,6-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/838b2d39f182481e85a53ef23813fb62.png "7-[2-(hexadecylamino)ethyl]-1,3-dimethylpurine-2,6-dione")
7-[2-(hexadecylamino)ethyl]-1,3-dimethylpurine-2,6-dione
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CAS No:
52943-52-9
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Formula:
C25H45N5O2
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Chemical Name:
7-[2-(hexadecylamino)ethyl]-1,3-dimethylpurine-2,6-dione
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Synonyms:
7-(2-hexadecylamino-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione; 7-(2-(Hexadecylamino)ethyl)theophylline; Theophylline,7-(2-(hexadecylamino)ethyl); 1H-Purine-2,6-dione,7-(2-(hexadecylamino)ethyl)-3,7-dihydro-1,3-dimethyl;
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CAS No:
7-[2-(hexadecylamino)ethyl]-1,3-dimethylpurine-2,6-dione Basic Attributes
447.65700
447.35732570
DTXSID20200989
2933990090
Computed Properties
Molecular Weight:447.7
XLogP3:6.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:18
Exact Mass:447.35732570
Monoisotopic Mass:447.35732570
Topological Polar Surface Area:70.5
Heavy Atom Count:32
Complexity:544
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 7-[2-(hexadecylamino)ethyl]-1,3-dimethylpurine-2,6-dione
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