3,5-Dinitrotyrosine

CAS Registry Number®

18386-16-8

CAS Name

3,5-Dinitrotyrosine

Molecular Formula

C9H9N3O7

Molecular Mass

271.18

Cite this Page

3,5-Dinitrotyrosine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=18386-16-8 (retrieved 2024-11-25) (CAS RN: 18386-16-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    220-230 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H9N3O7/c10-5(9(14)15)1-4-2-6(11(16)17)8(13)7(3-4)12(18)19/h2-3,5,13H,1,10H2,(H,14,15)

InChIKey

InChIKey=SAZOSDSFLRXREA-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=C(O)C(N(=O)=O)=CC(CC(C(O)=O)N)=C1

Canonical SMILES

O=C(O)C(N)CC=1C=C(C(O)=C(C1)N(=O)=O)N(=O)=O

Other Names for this Substance

  • Tyrosine, 3,5-dinitro-
  • 3,5-Dinitrotyrosine
  • 3,5-Dinitro-4-hydroxyphenylalanine
  • 3,5-Dinitro-DL-tyrosine
  • 2-Amino-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid

View All

Deleted or Replaced CAS Registry Numbers

54473-04-0

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