1-(2-{[(2R)-3-(2-Cyanophenoxy)-2-Hydroxypropyl]Amino}Ethyl)-3-Phenylurea

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Formula C19H22N4O3
IUPAC Name 1-[2-[[(2r)-3-(2-cyanophenoxy)-2-hydroxy-propyl]amino]ethyl]-3-phenyl-urea
Molecular Mass 354.403 g·mol−1
Heat of Formation -217.5 ± 16.7 kJ·mol−1
Dipole Moment 7.41 ± 1.08 D
Volume 443.41 Å 3
Surface Area 344.66 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[2-[[(2r)-3-(2-cyanophenoxy)-2-hydroxy-propyl]amino]ethyl]-3-phenyl-urea
  • 1-[2-[[(2r)-3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-3-phenylurea
  • tocris-0832
InChIKey HTLWRKRZKFAAAH-QGZVFWFLSA-N
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