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Substance Name: 3,5-Dibromo-L-tyrosine
RN: 300-38-9
UNII: QD49LEP46E
InChIKey: COESHZUDRKCEPA-ZETCQYMHSA-N

Molecular Formula

  • C9-H9-Br2-N-O3

Molecular Weight

  • 338.9821
 
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Names and Synonyms

Name of Substance

  • 3,5-Dibromo-L-tyrosine

Synonyms

  • 3,5-Dibromo-L-tyrosine
  • beta-(3,5-Dibromo-4-hydroxyphenyl)alanine
  • Biotiren
  • Bromotiren
  • Dibromotirina
  • EINECS 206-091-5
  • NSC 210786
  • UNII-QD49LEP46E

Systematic Names

  • 3,5-Dibromo-L-tyrosine
  • L-Tyrosine, 3,5-dibromo-
  • Tyrosine, 3,5-dibromo-, L-

Registry Numbers

CAS Registry Number

  • 300-38-9

FDA UNII

  • QD49LEP46E

System Generated Number

  • 0000300389

Structure Descriptors

InChI

1S/C9H9Br2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1

InChIKey

COESHZUDRKCEPA-ZETCQYMHSA-N

Smiles

c1c(Br)c(O)c(Br)cc1C[C@H](N)C(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 245 deg C   EXP
pKa Dissociation Constant 2.17 (none)   EXP
log P (octanol-water) 0.020 (none)   EST
Water Solubility 4000 mg/L 25 EXP
Atmospheric OH Rate Constant 4.08E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.