5-[(6,7,8-Trimethoxy-4-Quinazolinyl)Amino]Pentyl Nitrate

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Properties Simple | Detailed

Formula C16H22N4O6
IUPAC Name 5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentyl nitrate
Molecular Mass 366.369 g·mol−1
Heat of Formation -408.6 ± 16.7 kJ·mol−1
Dipole Moment 3.32 ± 1.08 D
Volume 418.25 Å 3
Surface Area 385.7 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • 1-pentanol, 5-((6,7,8-trimethoxy-4-quinazolinyl)amino)-, nitrate (ester)
  • 5-((6,7,8-trimethoxy-4-quinazolinyl)amino)-1-pentanyl nitrate maleate
  • kt 1
  • kt-1
  • nitric acid 5-[(6,7,8-trimethoxy-4-quinazolinyl)amino]pentyl ester
  • nitric acid 5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentyl ester
CAS Number(s)
  • 47487-05-8
InChIKey XEMQGFBCRICHHG-UHFFFAOYSA-N
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