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Substance Name: 3,5-Dibromotyrosine
RN: 537-24-6
UNII: 1996ZXQ53J
InChIKey: COESHZUDRKCEPA-UHFFFAOYSA-N

Note

  • Used to synthesize various secondary metabolites from marine sponges.

Molecular Formula

  • C9-H9-Br2-N-O3

Molecular Weight

  • 338.982
 
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Names and Synonyms

Name of Substance

  • 3,5-Dibromotyrosine

Synonyms

  • EINECS 208-661-9
  • UNII-1996ZXQ53J

Systematic Name

  • 3,5-Dibromotyrosine

Registry Numbers

CAS Registry Number

  • 537-24-6

FDA UNII

  • 1996ZXQ53J

System Generated Number

  • 0000537246

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)

InChIKey

COESHZUDRKCEPA-UHFFFAOYSA-N

Smiles

c1(cc(c(O)c(c1)Br)Br)C[C@@H](C(O)=O)N

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.020 (none)   EST
Water Solubility 226 mg/L 25 EST
Vapor Pressure 9.34E-11 mm Hg 25 EST
Henry's Law Constant 1.99E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.08E-11 cm3/molecule-sec 25 EST

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