1,8-dimethyl-3-(2-methylpropyl)-7H-purine-2,6-dione
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1,8-dimethyl-3-(2-methylpropyl)-7H-purine-2,6-dione
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CAS No:
63908-28-1
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Formula:
C11H16N4O2
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Chemical Name:
1,8-dimethyl-3-(2-methylpropyl)-7H-purine-2,6-dione
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Synonyms:
1,8-Dimethyl-3-isobutylxanthine;CHEMBL277529;63908-28-1;D 4160;Xanthine, 1,8-dimethyl-3-isobutyl-;BRN 1132431;1,8-dimethyl-3-(2-methylpropyl)-7H-purine-2,6-dione;1H-Purine-2,6-dione, 3,7-dihydro-1,8-dimethyl-3-(2-methylpropyl)-;SCHEMBL897036;1-methyl-3-isobutylmethylxanthine;DTXSID90213607;BDBM50405458
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CAS No:
1,8-dimethyl-3-(2-methylpropyl)-7H-purine-2,6-dione Basic Attributes
236.27 g/mol
236.12732577 g/mol
DTXSID90213607
Computed Properties
Molecular Weight:236.27
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:236.12732577
Monoisotopic Mass:236.12732577
Topological Polar Surface Area:69.3
Heavy Atom Count:17
Complexity:344
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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