2-(4-{2-[1,3-Benzoxazol-2-Yl(Heptyl)Amino]Ethyl}Phenoxy)-2-Methylpropanoic Acid

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Properties Simple | Detailed

Formula C26H34N2O4
IUPAC Name 2-[4-[2-[1,3-benzoxazol-2-yl(heptyl)amino]ethyl]phenoxy]-2-methyl-propanoic acid
Molecular Mass 438.559 g·mol−1
Heat of Formation -576.4 ± 16.7 kJ·mol−1
Dipole Moment 2.58 ± 1.08 D
Volume 557.09 Å 3
Surface Area 497.33 Å 2
HOMO Energy -8.28 ± 0.55 eV
LUMO Energy 2.96 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[2-(1,3-benzoxazol-2-yl-heptyl-amino)ethyl]phenoxy]-2-methyl-propanoic acid
  • 2-[4-[2-(1,3-benzoxazol-2-yl-heptyl-amino)ethyl]phenoxy]-2-methyl-propionic acid
  • 2-[4-[2-(1,3-benzoxazol-2-yl-heptylamino)ethyl]phenoxy]-2-methylpropanoic acid
InChIKey MMVUCPZZXMPIPE-UHFFFAOYSA-N
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