Phendioxan

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Properties Simple | Detailed

Formula C25H27NO5
IUPAC Name 2-(2,6-dimethoxyphenoxy)-n-[[(2r,3r)-3-phenyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]ethanamine
Molecular Mass 421.486 g·mol−1
Heat of Formation -447.6 ± 16.7 kJ·mol−1
Dipole Moment 2.08 ± 1.08 D
Volume 509.13 Å 3
Surface Area 455.19 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4-benzodioxin-2-methanamine, n-(2-(2,6-dimethoxyphenoxy)ethyl)-2,3-dihydro-3-phenyl-, (2r,3r)-rel-
  • 1,4-benzodioxin-2-methanamine, n-(2-(2,6-dimethoxyphenoxy)ethyl)-2,3-dihydro-3-phenyl-, trans-
  • 2-(((2-(2,6-dimethoxyphenoxy)ethyl)amino)methyl)-3-phenyl-1,4-benzodioxan
  • 2-(2,6-dimethoxyphenoxy)-n-[[(2r,3r)-3-phenyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]ethanamine
  • 2-(2,6-dimethoxyphenoxy)ethyl-[[(2r,3r)-3-phenyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]amine
  • pdsp1_001253
  • pdsp2_001237
  • wb-4101
CAS Number(s)
  • 130905-04-3
InChIKey UVEKKXRFQCNLQE-DNQXCXABSA-N
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