N-{2-[4-(1,3-Benzodioxol-5-Yl)-2-(2-Methyl-2-Propanyl)Phenoxy]Ethyl}-N-Methylglycine

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Properties Simple | Detailed

Formula C22H27NO5
IUPAC Name 2-[2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-phenoxy]ethyl-methyl-amino]acetic acid
Molecular Mass 385.453 g·mol−1
Heat of Formation -698.3 ± 16.7 kJ·mol−1
Dipole Moment 2.66 ± 1.08 D
Volume 473.11 Å 3
Surface Area 404.84 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-phenoxy]ethyl-methyl-amino]ethanoic acid
  • 2-[2-[4-(1,3-benzodioxol-5-yl)-2-tert-butylphenoxy]ethyl-methylamino]acetic acid
InChIKey FKPLJWGRBCQLTL-UHFFFAOYSA-N
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