Diethyl ({[3-(2,6-Dimethyl-4-Pyridinyl)-4-Fluorophenyl]Amino}Methylene)Malonate

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Properties Simple | Detailed

Formula C21H23FN2O4
IUPAC Name diethyl 2-[[3-(2,6-dimethyl-4-pyridyl)-4-fluoro-anilino]methylene]propanedioate
Molecular Mass 386.417 g·mol−1
Heat of Formation -780.9 ± 16.7 kJ·mol−1
Dipole Moment 2.10 ± 1.08 D
Volume 456.17 Å 3
Surface Area 423.88 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[[3-(2,6-dimethyl-4-pyridyl)-4-fluoro-phenyl]amino]methylene]malonic acid diethyl ester
  • 2-[[[3-(2,6-dimethyl-4-pyridyl)-4-fluorophenyl]amino]methylene]propanedioic acid diethyl ester
  • ddpfamp
  • diethyl (((3-(2,6-dimethyl-4-pyridinyl)-4-fluorophenyl)amino)methylene)propanedioate
  • diethyl 2-[[[3-(2,6-dimethyl-4-pyridyl)-4-fluoro-phenyl]amino]methylene]propanedioate
  • diethyl 2-[[[3-(2,6-dimethylpyridin-4-yl)-4-fluoro-phenyl]amino]methylidene]propanedioate
  • diethyl 2-[[[3-(2,6-dimethylpyridin-4-yl)-4-fluorophenyl]amino]methylidene]propanedioate
CAS Number(s)
  • 104431-74-5
InChIKey KYUNYRAKHOBJNA-UHFFFAOYSA-N
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