β-Amino-3-nitrobenzenepropanoic acid

CAS Registry Number®

5678-47-7

CAS Name

β-Amino-3-nitrobenzenepropanoic acid

Molecular Formula

C9H10N2O4

Molecular Mass

210.19

Cite this Page

β-Amino-3-nitrobenzenepropanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5678-47-7 (retrieved 2024-11-22) (CAS RN: 5678-47-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    230 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H10N2O4/c10-8(5-9(12)13)6-2-1-3-7(4-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)

InChIKey

InChIKey=SJBFILRQMRECCK-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenepropanoic acid, β-amino-3-nitro-
  • Hydrocinnamic acid, β-amino-m-nitro-
  • β-Amino-3-nitrobenzenepropanoic acid
  • NSC 40724
  • 3-Amino-3-(3-nitrophenyl)propanoic acid

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration