N-{(2S)-3-[4-(Allyloxy)Phenoxy]-2-Hydroxypropyl}-5-(Dimethylamino)-N-Isopropyl-1-Naphthalenesulfonamide

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Properties Simple | Detailed

Formula C27H34N2O5S
IUPAC Name n-[(2s)-3-(4-allyloxyphenoxy)-2-hydroxy-propyl]-5-(dimethylamino)-n-isopropyl-naphthalene-1-sulfonamide
Molecular Mass 498.634 g·mol−1
Heat of Formation -593.8 ± 16.7 kJ·mol−1
Dipole Moment 5.11 ± 1.08 D
Volume 598.17 Å 3
Surface Area 418.84 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • 1-naphthalenesulfonamide, 5-(dimethylamino)-n-(2-hydroxy-3-(4-(2-propenyloxy)phenoxy)propyl)-n-(1-methylethyl)-, (s)-
  • 5-dimethylamino-n-[(2s)-2-hydroxy-3-(4-prop-2-enoxyphenoxy)propyl]-n-propan-2-yl-naphthalene-1-sulfonamide
  • 5-dimethylamino-n-[(2s)-2-hydroxy-3-(4-prop-2-enoxyphenoxy)propyl]-n-propan-2-ylnaphthalene-1-sulfonamide
  • dansyl alprenolol
  • dansyl-l-alprenolol
  • n-[(2s)-3-(4-allyloxyphenoxy)-2-hydroxy-propyl]-5-dimethylamino-n-isopropyl-naphthalene-1-sulfonamide
  • n-[(2s)-3-(4-allyloxyphenoxy)-2-hydroxypropyl]-5-dimethylamino-n-isopropyl-1-naphthalenesulfonamide
CAS Number(s)
  • 85187-55-9
InChIKey VOMHLVCDGPYODA-NRFANRHFSA-N
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