Benzenebutanoic acid, α,2-diamino-γ-oxo-, sulfate (1:1)

CAS Registry Number®

2126-91-2

CAS Name

Benzenebutanoic acid, α,2-diamino-γ-oxo-, sulfate (1:1)

Molecular Formula

C10H12N2O3.H2O4S

Cite this Page

Benzenebutanoic acid, α,2-diamino-γ-oxo-, sulfate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2126-91-2 (retrieved 2024-11-22) (CAS RN: 2126-91-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    174-175 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H12N2O3.H2O4S/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15;1-5(2,3)4/h1-4,8H,5,11-12H2,(H,14,15);(H2,1,2,3,4)

InChIKey

InChIKey=KAXRWMOLNJZCEW-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)C(N)CC(=O)C=1C=CC=CC1N.O=S(=O)(O)O

Other Names for this Substance

  • Benzenebutanoic acid, α,2-diamino-γ-oxo-, sulfate (1:1)
  • Alanine, 3-anthraniloyl-, sulfate (1:1), DL-
  • Benzenebutanoic acid, α,2-diamino-γ-oxo-, (±)-, sulfate (1:1)
  • DL-Kynurenine sulfate
  • 2-Amino-4-(2-aminophenyl)-4-oxobutanoic acid compound with sulfuric acid (1:1)

CAS INSIGHTSTM
Targeted protein degrader structure, illustration