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Home > Encyclopedia > 2,3,6,9-Tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purine-8-butanoic acid

2,3,6,9-Tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purine-8-butanoic acid

2,3,6,9-Tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purine-8-butanoic acid structure

2,3,6,9-Tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purine-8-butanoic acid 

structure
  • CAS No:

    5438-71-1

  • Formula:

    C11H14N4O4

  • Chemical Name:

    2,3,6,9-Tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purine-8-butanoic acid

  • Synonyms:

    1H-Purine-8-butanoic acid,2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo-;1H-Purine-8-butanoic acid,2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-;2,3,6,9-Tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purine-8-butanoic acid;8-(3-Carboxypropyl)theophylline;8-(3-Carboxypropyl)-1,3-dimethylxanthine;Theophylline-8-butyric acid;NSC 14374

2,3,6,9-Tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purine-8-butanoic acid Basic Attributes

266.25300

266.25

1UR2VV86WO

14374

DTXSID90202753

2933990090

Characteristics

109.98000

0.1

1.451g/cm3

613.3ºC at 760mmHg

324.7ºC

1.609

2-8ºC

Safety Information

NONH for all modes of transport

3

XH5060000

Computed Properties

Molecular Weight:266.25
XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:266.10150494
Monoisotopic Mass:266.10150494
Topological Polar Surface Area:107
Heavy Atom Count:19
Complexity:414
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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