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Home > Encyclopedia > 3,7-Dihydro-1,3-dimethyl-7-[2-[(phenylmethyl)amino]ethyl]-1H-purine-2,6-dione

3,7-Dihydro-1,3-dimethyl-7-[2-[(phenylmethyl)amino]ethyl]-1H-purine-2,6-dione

3,7-Dihydro-1,3-dimethyl-7-[2-[(phenylmethyl)amino]ethyl]-1H-purine-2,6-dione structure

3,7-Dihydro-1,3-dimethyl-7-[2-[(phenylmethyl)amino]ethyl]-1H-purine-2,6-dione 

structure
  • CAS No:

    22680-61-1

  • Formula:

    C16H19N5O2

  • Chemical Name:

    3,7-Dihydro-1,3-dimethyl-7-[2-[(phenylmethyl)amino]ethyl]-1H-purine-2,6-dione

  • Synonyms:

    1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-7-[2-[(phenylmethyl)amino]ethyl]-;Theophylline,7-[2-(benzylamino)ethyl]-;3,7-Dihydro-1,3-dimethyl-7-[2-[(phenylmethyl)amino]ethyl]-1H-purine-2,6-dione;7-[2-(Benzylamino)ethyl]-1,3-dimethylxanthine;7-(2-Benzylaminoethyl)theophylline

3,7-Dihydro-1,3-dimethyl-7-[2-[(phenylmethyl)amino]ethyl]-1H-purine-2,6-dione Basic Attributes

313.35436

313.35

245-155-7

DTXSID70177213

2933990090

Characteristics

70.5

0.5

1.3g/cm3

546.5ºC at 760mmHg

284.3ºC

1.656

5.35E-12mmHg at 25°C

Computed Properties

Molecular Weight:313.35
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:313.15387487
Monoisotopic Mass:313.15387487
Topological Polar Surface Area:70.5
Heavy Atom Count:23
Complexity:452
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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