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Home > Encyclopedia > 7-(2-Aminoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

7-(2-Aminoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

7-(2-Aminoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione structure

7-(2-Aminoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione 

structure
  • CAS No:

    35206-02-1

  • Formula:

    C9H13N5O2

  • Chemical Name:

    7-(2-Aminoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

  • 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

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

Characteristics

84.5

-1.5

1.51±0.1 g/cm3(Predicted)

187-190 °C

470.7ºC at 760 mmHg

238.5ºC

1.703

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

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