(2S)-1-{4-[2-(Cyclopropylmethoxy)Ethyl]Phenoxy}-3-[(2-Methyl-2-Propanyl)Amino]-2-Propanol

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Properties Simple | Detailed

Formula C19H31NO3
IUPAC Name (2s)-1-(tert-butylamino)-3-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]propan-2-ol
Molecular Mass 321.454 g·mol−1
Heat of Formation -505.8 ± 16.7 kJ·mol−1
Dipole Moment 1.60 ± 1.08 D
Volume 437.15 Å 3
Surface Area 333.81 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-(tert-butylamino)-3-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]propan-2-ol
  • 2-propanol, 1-(4-(2-(cyclopropylmethoxy)ethyl)phenoxy)-3-((1,1-dimethylethyl)amino)-, (s)-
  • tert-butylbetaxolol
CAS Number(s)
  • 114987-56-3
InChIKey ILWIKOAOZUSHMV-KRWDZBQOSA-N
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