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Home > Encyclopedia > 1-Allyl-3-isobutyl-8-methylxanthine

1-Allyl-3-isobutyl-8-methylxanthine

1-Allyl-3-isobutyl-8-methylxanthine structure

1-Allyl-3-isobutyl-8-methylxanthine 

structure
  • CAS No:

    81250-17-1

  • Formula:

    C13H18N4O2

  • Chemical Name:

    1-Allyl-3-isobutyl-8-methylxanthine

  • Synonyms:

    1-Allyl-3-isobutyl-8-methylxanthine;1H-Purine-2,6-dione, 3,7-dihydro-8-methyl-3-(2-methylpropyl)-1-(2-propenyl)-;3,7-Dihydro-8-methyl-3-(2-methylpropyl)-1-(2-propenyl)-1H-purine-2,6-dione;SCHEMBL10857602;CTK5E8617;DTXSID00230981;8-methyl-3-(2-methylpropyl)-1-prop-2-enyl-7H-purine-2,6-dione;LS-127036

1-Allyl-3-isobutyl-8-methylxanthine Basic Attributes

262.313

262.143

DTXSID00230981

Characteristics

69.3

2.9

1.195g/cm3

480.8ºC at 760 mmHg

244.6ºC

1.558

Computed Properties

Molecular Weight:262.31
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:262.14297583
Monoisotopic Mass:262.14297583
Topological Polar Surface Area:69.3
Heavy Atom Count:19
Complexity:396
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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