N-((2,4-Diaminopteridin-6-Yl)Methyl)Dibenz(B,F)Azepine

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Properties Simple | Detailed

Formula C21H17N7
IUPAC Name 6-(benzo[b][1]benzazepin-11-ylmethyl)pteridine-2,4-diamine
Molecular Mass 367.407 g·mol−1
Heat of Formation 620.0 ± 16.7 kJ·mol−1
Dipole Moment 4.10 ± 1.08 D
Volume 424.06 Å 3
Surface Area 355.69 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy 1.17 ± eV
Point Group Symmetry C1
Synonyms
  • 6-(11-benzo[b][1]benzazepinylmethyl)pteridine-2,4-diamine
  • 6-(dibenzo[b,f]azepin-5-ylmethyl)pteridine-2,4-diamine
  • [2-amino-6-(benzo[b][1]benzazepin-11-ylmethyl)pteridin-4-yl]amine
  • [n-(2,4-diaminopteridin-6-yl)-methyl]-dibenz[b,f]azepine
  • pmd
InChIKey NXCCIJQEAKMFGW-UHFFFAOYSA-N
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Elements H C N