(2R)-1-{4-[(2-Isopropoxyethoxy)Methyl]Phenoxy}-3-(Isopropylamino)-2-Propanol

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Properties Simple | Detailed

Formula C18H31NO4
IUPAC Name (2r)-1-[4-(2-isopropoxyethoxymethyl)phenoxy]-3-(isopropylamino)propan-2-ol
Molecular Mass 325.443 g·mol−1
Heat of Formation -736.5 ± 16.7 kJ·mol−1
Dipole Moment 1.06 ± 1.08 D
Volume 441.84 Å 3
Surface Area 366.41 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 0.14 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol
  • (2r)-1-[4-(2-isopropoxyethoxymethyl)phenoxy]-3-(isopropylamino)propan-2-ol
  • ks-1033
  • prestwick-05a11
  • tocris-0914
InChIKey VHYCDWMUTMEGQY-QGZVFWFLSA-N
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