N-[3-(4-Benzylphenoxy)Propyl]-N-Methyl-β-Alanine

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Properties Simple | Detailed

Formula C20H25NO3
IUPAC Name 3-[3-(4-benzylphenoxy)propyl-methyl-amino]propanoic acid
Molecular Mass 327.417 g·mol−1
Heat of Formation -410.9 ± 16.7 kJ·mol−1
Dipole Moment 1.64 ± 1.08 D
Volume 423.48 Å 3
Surface Area 389.02 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 3.20 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[3-[4-(benzyl)phenoxy]propyl-methyl-amino]propionic acid
  • 3-[methyl-[3-[4-(phenylmethyl)phenoxy]propyl]amino]propanoic acid
InChIKey HSXNVULMYZGNGF-UHFFFAOYSA-N
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