(2R)-4-[4-(2-Acetamidoethyl)-2,6-Dibromophenoxy]-2-(Trimethylammonio)Butanoate

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Properties Simple | Detailed

Formula C17H24Br2N2O4
IUPAC Name (2r)-4-[4-(2-acetamidoethyl)-2,6-dibromo-phenoxy]-2-(trimethylammonio)butanoate
Molecular Mass 480.191 g·mol−1
Heat of Formation -569.7 ± 16.7 kJ·mol−1
Dipole Moment 11.15 ± 1.08 D
Volume 471.25 Å 3
Surface Area 393.18 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-4-[4-(2-acetamidoethyl)-2,6-dibromo-phenoxy]-2-trimethylammonio-butanoate
  • (2r)-4-[4-(2-acetamidoethyl)-2,6-dibromo-phenoxy]-2-trimethylammonio-butyrate
  • (2r)-4-[4-(2-acetamidoethyl)-2,6-dibromo-phenoxy]-2-trimethylazaniumyl-butanoate
  • (2r)-4-[4-(2-acetamidoethyl)-2,6-dibromophenoxy]-2-trimethylammoniobutanoate
  • (2r)-4-[4-(2-acetamidoethyl)-2,6-dibromophenoxy]-2-trimethylazaniumylbutanoate
  • 1-propanaminium, 3-[4-[2-(acetylamino)ethyl]-2,6-dibromophenoxy]-1-carboxy-n,n,n-trimethyl-, inner salt, (1r)-
  • 4-{4-[2-(acetylamino)ethyl]-2,6-dibromophenoxy}-2-(trimethylammonio)butanoate
  • nakirodin a
InChIKey YHNIEBZNGPLHJU-OAHLLOKOSA-N
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Elements H C O Br N