1-Cyclohexyl-3-(4-{(2R)-2-Hydroxy-3-[(2-Methyl-2-Propanyl)Amino]Propoxy}Phenyl)Urea

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Properties Simple | Detailed

Formula C20H33N3O3
IUPAC Name 1-[4-[(2r)-3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-3-cyclohexyl-urea
Molecular Mass 363.494 g·mol−1
Heat of Formation -619.3 ± 16.7 kJ·mol−1
Dipole Moment 4.53 ± 1.08 D
Volume 474.01 Å 3
Surface Area 399.79 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[4-[(2r)-3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-1-cyclohexyl-urea
  • 3-[4-[(2r)-3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1-cyclohexylurea
  • urea, n-cyclohexyl-n'-(4-((2r)-3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-
CAS Number(s)
  • 71369-60-3
InChIKey MXFWWQICDIZSOA-QGZVFWFLSA-N
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