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8-[3-(Dimethylamino)propoxy]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione--9H-purine-6-thiol (1/1)

Base Information
  • Chemical Name:8-[3-(Dimethylamino)propoxy]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione--9H-purine-6-thiol (1/1)
  • CAS No.:80539-94-2
  • Molecular Formula:C13H22ClN5O3
  • Molecular Weight:295.3375
  • Hs Code.:
  • DSSTox Substance ID:DTXSID201001306
  • Mol file:80539-94-2.mol
8-[3-(Dimethylamino)propoxy]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione--9H-purine-6-thiol (1/1)

Synonyms:DTXSID201001306;8-[3-(Dimethylamino)propoxy]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione--9H-purine-6-thiol (1/1)

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Chemical Property of 8-[3-(Dimethylamino)propoxy]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione--9H-purine-6-thiol (1/1)
Chemical Property:
  • Vapor Pressure:1.88E-08mmHg at 25°C 
  • Boiling Point:454.6°Cat760mmHg 
  • Flash Point:228.7°C 
  • PSA:162.53000 
  • Density:1.28g/cm3 
  • LogP:-2.79080 
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:7
  • Rotatable Bond Count:5
  • Exact Mass:447.18010687
  • Heavy Atom Count:31
  • Complexity:607
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CN1C2=C(N=C1OCCCN(C)C)N(C(=O)N(C2=O)C)C.C1=NC2=C(N1)C(=S)N=CN2
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