8-(2-hydroxypropylamino)-1,3,7-trimethylpurine-2,6-dione
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8-(2-hydroxypropylamino)-1,3,7-trimethylpurine-2,6-dione
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CAS No:
60595-61-1
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Formula:
C11H17N5O3
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Chemical Name:
8-(2-hydroxypropylamino)-1,3,7-trimethylpurine-2,6-dione
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Synonyms:
8-((2-Hydroxypropyl)amino)caffeine; 8-(2-hydroxy-propylamino)-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione; 1H-Purine-2,6-dione,3,7-dihydro-8-((2-hydroxypropyl)amino)-1,3,7-trimethyl; CAFFEINE,8-((2-HYDROXYPROPYL)AMINO); 8-(2-Hydroxy-propylamino)-coffein;
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CAS No:
8-(2-hydroxypropylamino)-1,3,7-trimethylpurine-2,6-dione Basic Attributes
267.28400
267.13313942 g/mol
Computed Properties
Molecular Weight:267.28
XLogP3:-0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:267.13313942
Monoisotopic Mass:267.13313942
Topological Polar Surface Area:90.7
Heavy Atom Count:19
Complexity:391
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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