8-(2-aminoethylamino)-1,3-dimethyl-7H-purine-2,6-dione
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8-(2-aminoethylamino)-1,3-dimethyl-7H-purine-2,6-dione
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CAS No:
14251-32-2
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Formula:
C9H14N6O2
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Chemical Name:
8-(2-aminoethylamino)-1,3-dimethyl-7H-purine-2,6-dione
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Synonyms:
Theophylline, 8-((2-aminoethyl)amino)-;14251-32-2;BRN 1005639;8-((2-Aminoethyl)amino)theophylline;Theophylline ethylene-diamine [French];Theophylline ethylene-diamine;1H-Purine-2,6-dione, 8-((2-aminoethyl)amino)-3,7-dihydro-1,3-dimethyl-;SCHEMBL15749724;DTXSID70162068;AKOS000177669;8-[(2-Aminoethyl)amino]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
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CAS No:
8-(2-aminoethylamino)-1,3-dimethyl-7H-purine-2,6-dione Basic Attributes
238.25 g/mol
238.11782371 g/mol
DTXSID70162068
Computed Properties
Molecular Weight:238.25
XLogP3:-0.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:238.11782371
Monoisotopic Mass:238.11782371
Topological Polar Surface Area:107
Heavy Atom Count:17
Complexity:335
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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