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Theophylline, 7-(2-(phenethylamino)ethyl)-, hydrochloride

Base Information
  • Chemical Name:Theophylline, 7-(2-(phenethylamino)ethyl)-, hydrochloride
  • CAS No.:1239-54-9
  • Molecular Formula:C17H21 N5 O2 . Cl H
  • Molecular Weight:363.8419
  • Hs Code.:
  • DSSTox Substance ID:DTXSID60154139
Theophylline, 7-(2-(phenethylamino)ethyl)-, hydrochloride

Synonyms:Theophylline, 7-(2-(phenethylamino)ethyl)-, hydrochloride;1239-54-9;beta-PT;7-(2-(Phenethylamino)ethyl)theophylline hydrochloride;7-(beta-(beta'-Phenyl-aethyl)aminoaethyl)-theophyllin-hydrochlorid [German];DTXSID60154139;7-(beta-(beta'-Phenyl-aethyl)aminoaethyl)-theophyllin-hydrochlorid

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Chemical Property of Theophylline, 7-(2-(phenethylamino)ethyl)-, hydrochloride
Chemical Property:
  • Vapor Pressure:1.06E-12mmHg at 25°C 
  • Boiling Point:563°Cat760mmHg 
  • Flash Point:294.3°C 
  • Density:g/cm3 
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Rotatable Bond Count:6
  • Exact Mass:363.1462027
  • Heavy Atom Count:25
  • Complexity:466
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCCC3=CC=CC=C3.Cl
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