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

1-Allyl-3-butyl-8-methylxanthine

1-Allyl-3-butyl-8-methylxanthine structure

1-Allyl-3-butyl-8-methylxanthine 

structure
  • CAS No:

    81250-14-8

  • Formula:

    C13H18N4O2

  • Chemical Name:

    1-Allyl-3-butyl-8-methylxanthine

  • Synonyms:

    1-Allyl-3-butyl-8-methylxanthine;1H-Purine-2,6-dione, 3,7-dihydro-3-butyl-8-methyl-1-(2-propenyl)-;3,7-Dihydro-3-butyl-8-methyl-1-(2-propenyl)-1H-purine-2,6-dione;CHEMBL420887;SCHEMBL4953015;3-butyl-8-methyl-1-prop-2-enyl-7H-purine-2,6-dione;CTK5E8616;DTXSID40230980;1-allyl-3-butyl-8-methyl xanthine;LS-126623

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

262.313

262.143

DTXSID40230980

Characteristics

69.3

2.8

1.197g/cm3

487.9ºC at 760 mmHg

248.9ºC

1.56

Computed Properties

Molecular Weight:262.31
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:262.14297583
Monoisotopic Mass:262.14297583
Topological Polar Surface Area:69.3
Heavy Atom Count:19
Complexity:385
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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