(βr)-β,3-Dihydroxy-N-Methyl-L-Tyrosine

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Properties Simple | Detailed

Formula C10H13NO5
IUPAC Name (2s,3r)-3-(3,4-dihydroxyphenyl)-3-hydroxy-2-(methylamino)propanoic acid
Molecular Mass 227.214 g·mol−1
Heat of Formation -835.5 ± 16.7 kJ·mol−1
Dipole Moment 3.44 ± 1.08 D
Volume 255.49 Å 3
Surface Area 232.94 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r)-3-(3,4-dihydroxyphenyl)-3-hydroxy-2-methylamino-propanoic acid
  • (2s,3r)-3-(3,4-dihydroxyphenyl)-3-hydroxy-2-methylamino-propionic acid
  • (2s,3r)-3-(3,4-dihydroxyphenyl)-3-hydroxy-2-methylaminopropanoic acid
  • 3-(3,4-dihydroxyphenyl)-n-methylserine
  • 3-adca
  • adrenaline carboxylic acid
CAS Number(s)
  • 92843-37-3
InChIKey RPXZFIAFSLMEJW-DTWKUNHWSA-N
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