2-(4-Butyrylamino-2-Nitrobenzyl)Pyridine

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Properties Simple | Detailed

Formula C16H17N3O3
IUPAC Name n-[3-nitro-4-(2-pyridylmethyl)phenyl]butanamide
Molecular Mass 299.324 g·mol−1
Heat of Formation -59.1 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 352.01 Å 3
Surface Area 324.24 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
Synonyms
  • alpha-(p'-butyrylamino-o-nitrobenzyl)pyridine
  • butanamide, n-(3-nitro-4-(2-pyridinylmethyl)phenyl)-
  • kw 6055
  • n-(3-nitro-4-(2-pyridinylmethyl)phenyl)butanamide
  • n-[3-nitro-4-(2-pyridylmethyl)phenyl]butanamide
  • n-[3-nitro-4-(2-pyridylmethyl)phenyl]butyramide
CAS Number(s)
  • 63233-46-5
InChIKey CZKQVCYQBJJAGG-UHFFFAOYSA-N
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