2-(4-{(2S)-2-Hydroxy-3-[(2-Methyl-2-Propanyl)Amino]Propoxy}Phenyl)Ethyl Acetate

Molecule SVG Image

Properties Simple | Detailed

Formula C17H27NO4
IUPAC Name 2-[4-[(2s)-3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]ethyl acetate
Molecular Mass 309.401 g·mol−1
Heat of Formation -757.9 ± 16.7 kJ·mol−1
Dipole Moment 1.08 ± 1.08 D
Volume 408.75 Å 3
Surface Area 358.85 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 0.18 ± eV
Point Group Symmetry C1
Synonyms
  • (s)-3-tert-butylamino-1-(4-(2-hydroxyethyl)phenoxy)-2-propanol
  • 2-[4-[(2s)-3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]ethyl acetate
  • 2-[4-[(2s)-3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]ethyl ethanoate
  • 2-[4-[(2s)-3-(tert-butylamino)-2-hydroxypropoxy]phenyl]ethyl acetate
  • acetic acid 2-[4-[(2s)-3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]ethyl ester
  • acetic acid 2-[4-[(2s)-3-(tert-butylamino)-2-hydroxypropoxy]phenyl]ethyl ester
  • benzeneethanol, 4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, alpha-acetate, (s)-
  • l 653,328
  • l 653328
  • l-653,328
CAS Number(s)
  • 115609-61-5
InChIKey YSAYHFMJDLPBGB-HNNXBMFYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N