3-Amino-4-({3-[3-(1-Piperidinylmethyl)Phenoxy]Propyl}Amino)-3-Cyclobutene-1,2-Dione

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Properties Simple | Detailed

Formula C19H25N3O3
IUPAC Name 3-amino-4-[3-[3-(1-piperidylmethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione
Molecular Mass 343.420 g·mol−1
Heat of Formation -195.9 ± 16.7 kJ·mol−1
Dipole Moment 3.74 ± 1.08 D
Volume 425.59 Å 3
Surface Area 322.31 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy -0.16 ± eV
Point Group Symmetry C1
Synonyms
  • 3-amino-4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione
  • 3-amino-4-[3-[3-(piperidinomethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-quinone
  • 3-cyclobutene-1,2-dione, 3-amino-4-((3-(3-(1-piperidinylmethyl)phenoxy)propyl)amino)-
  • bmy 25368
  • sk&f 94482
  • skf 94482
CAS Number(s)
  • 86134-80-7
InChIKey KSBYXRUNSLGUNE-UHFFFAOYSA-N
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