8-(3-Pyridyl)theophyline
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8-(3-Pyridyl)theophyline
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CAS No:
1029-62-5
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Formula:
C12H11N5O2
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Chemical Name:
8-(3-Pyridyl)theophyline
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Synonyms:
8-(3-Pyridyl)theophylline;8-beta-Pyridyltheophylline;8-beta-Piridilteofillina [Italian];NSC 292894;BRN 0621137;CHEMBL368473;Theophylline, 8-(3-pyridyl)-;8-beta-Piridilteofillina;NSC292894;8-(3-Pyridyl)theophyline
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CAS No:
Characteristics
82.2
1.1
1.417±0.06 g/cm3(Predicted)
>300 °C
552.8±56.0 °C(Predicted)
288.1ºC
1.645
2.9E-12mmHg at 25°C
Computed Properties
Molecular Weight:257.25
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:257.09127461
Monoisotopic Mass:257.09127461
Topological Polar Surface Area:82.2
Heavy Atom Count:19
Complexity:402
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes