7-[3-(dibutylamino)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
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7-[3-(dibutylamino)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
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CAS No:
5047-75-6
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Formula:
C18H31N5O3
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Chemical Name:
7-[3-(dibutylamino)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
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Synonyms:
7-<2-Hydroxy-3-dibutylamino-propyl>-theophyllin;
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CAS No:
7-[3-(dibutylamino)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Basic Attributes
365.47000
365.24268987 g/mol
2933990090
Computed Properties
Molecular Weight:365.5
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:365.24268987
Monoisotopic Mass:365.24268987
Topological Polar Surface Area:81.9
Heavy Atom Count:26
Complexity:481
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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