N-(4-Nitrobenzoyl)-β-alanine

CAS Registry Number®

59642-21-6

CAS Name

N-(4-Nitrobenzoyl)-β-alanine

Molecular Formula

C10H10N2O5

Molecular Mass

238.20

Cite this Page

N-(4-Nitrobenzoyl)-β-alanine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=59642-21-6 (retrieved 2024-11-21) (CAS RN: 59642-21-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    160-161 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H10N2O5/c13-9(14)5-6-11-10(15)7-1-3-8(4-2-7)12(16)17/h1-4H,5-6H2,(H,11,15)(H,13,14)

InChIKey

InChIKey=PDTLZWITKYGYDN-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • β-Alanine, N-(4-nitrobenzoyl)-
  • N-(4-Nitrobenzoyl)-β-alanine
  • 3-[(4-Nitrophenyl)formamido]propanoic acid

CAS INSIGHTSTM
Targeted protein degrader structure, illustration