7-(2-Aminoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
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7-(2-Aminoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
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CAS No:
35206-02-1
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Formula:
C9H13N5O2
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Chemical Name:
7-(2-Aminoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
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Synonyms:
1H-Purine-2,6-dione,7-(2-aminoethyl)-3,7-dihydro-1,3-dimethyl-;Theophylline,7-(2-aminoethyl)-;7-(2-Aminoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione;7-(2-Aminoethyl)theophylline;7-(Aminoethyl)theophylline;NSC 250770
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CAS No:
7-(2-Aminoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione Basic Attributes
223.23182
223.23
252-436-8
250770
DTXSID00188711
2933990090
Computed Properties
Molecular Weight:223.23
XLogP3:-1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:223.10692467
Monoisotopic Mass:223.10692467
Topological Polar Surface Area:84.5
Heavy Atom Count:16
Complexity:321
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
7-(2-Aminoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
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