5-{(2R)-2-Hydroxy-3-[(2-Methyl-2-Propanyl)Amino]Propoxy}-3,4-Dihydro-1(2H)-Naphthalenone

Molecule SVG Image

Properties Simple | Detailed

Formula C17H25NO3
IUPAC Name 5-[(2r)-3-(tert-butylamino)-2-hydroxy-propoxy]tetralin-1-one
Molecular Mass 291.385 g·mol−1
Heat of Formation -542.9 ± 16.7 kJ·mol−1
Dipole Moment 4.82 ± 1.08 D
Volume 377.44 Å 3
Surface Area 329.49 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 2.48 ± eV
Point Group Symmetry C1
Synonyms
  • (+-)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2h)-one
  • (+/-)-5-[(tert-butylaminol)-2'-hydroxypropoxy]-3,4-dihydro-1(2h)-naphthalenone
  • 5-[(2r)-3-(tert-butylamino)-2-hydroxy-propoxy]-3,4-dihydro-2h-naphthalen-1-one
  • 5-[(2r)-3-(tert-butylamino)-2-hydroxy-propoxy]tetralin-1-one
  • 5-[(2r)-3-(tert-butylamino)-2-hydroxypropoxy]-1-tetralinone
  • 5-[(2r)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2h-naphthalen-1-one
  • 5-[rac-(2r)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2h)-one
  • bpbio1_000961
InChIKey IXHBTMCLRNMKHZ-GFCCVEGCSA-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