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Home > Encyclopedia > benzoic acid,7-[3-[bis(2-methylpropyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione

benzoic acid,7-[3-[bis(2-methylpropyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione

benzoic acid,7-[3-[bis(2-methylpropyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione structure

benzoic acid,7-[3-[bis(2-methylpropyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione 

structure
  • CAS No:

    102288-42-6

  • Formula:

    C25H37N5O5

  • Chemical Name:

    benzoic acid,7-[3-[bis(2-methylpropyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione

  • Synonyms:

    1H-Purine-2,6-dione,7-[2-(benzoyloxy)-3-[bis(2-methylpropyl)amino]propyl]-3,7-dihydro-1,3-dimethyl; 7-(3-Diisobutylamino-2-benzoyloxypropyl)-theophyllin; 7-(2-benzoyloxy-3-diisobutylamino-propyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione; 7-(3'-Diisobutylamino-2'-benzoyloxypropyl)theophylline; 7-<2-Benzoyloxy-3-diisobutylamino-propyl>-theophyllin; Theophylline,7-[3-(diisobutylamino)-2-hydroxypropyl]-,benzoate (7CI);Expand

benzoic acid,7-[3-[bis(2-methylpropyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Basic Attributes

487.59200

469.26890461

Characteristics

122.59000

1.79340

1.2g/cm3

619.5ºC at 760mmHg

328.5ºC

1.591

0mmHg at 25°C

Computed Properties

Molecular Weight:469.6
XLogP3:3.8
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:11
Exact Mass:469.26890461
Monoisotopic Mass:469.26890461
Topological Polar Surface Area:88
Heavy Atom Count:34
Complexity:714
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of benzoic acid,7-[3-[bis(2-methylpropyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione

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