1,3-dimethyl-8-pentyl-7H-purine-2,6-dione
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1,3-dimethyl-8-pentyl-7H-purine-2,6-dione
structure -
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CAS No:
35873-41-7
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Formula:
C12H18N4O2
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Chemical Name:
1,3-dimethyl-8-pentyl-7H-purine-2,6-dione
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Synonyms:
8-Pentyltheophylline; Theophylline,8-pentyl; 8-Pentyl-theophyllin; 3,7-Dihydro-1,3-dimethyl-8-pentyl-1H-purine-2,6-dione; Xanthine,1,3-dimethyl-8-pentyl; 1,3-dimethyl-8-pentyl-3,7(9)-dihydro-purine-2,6-dione; 1,3-dimethyl-8-pentyl-3,7-dihydro-1h-purine-2,6-dione; 8-n-Pentyl-theophyllin;Expand
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CAS No:
1,3-dimethyl-8-pentyl-7H-purine-2,6-dione Basic Attributes
250.29700
250.14297583 g/mol
DTXSID20189427
2933990090
Computed Properties
Molecular Weight:250.30
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:250.14297583
Monoisotopic Mass:250.14297583
Topological Polar Surface Area:69.3
Heavy Atom Count:18
Complexity:347
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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