N-[[(4-Nitrophenyl)amino]carbonyl]-β-alanine

CAS Registry Number®

102-66-9
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CAS Name

N-[[(4-Nitrophenyl)amino]carbonyl]-β-alanine

Molecular Formula

C10H11N3O5

Molecular Mass

253.21

Cite this Page

N-[[(4-Nitrophenyl)amino]carbonyl]-β-alanine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=102-66-9 (retrieved 2024-04-20) (CAS RN: 102-66-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    188 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H11N3O5/c14-9(15)5-6-11-10(16)12-7-1-3-8(4-2-7)13(17)18/h1-4H,5-6H2,(H,14,15)(H2,11,12,16)

InChIKey

InChIKey=MYMZLBHZVRWYRE-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)CCNC(=O)NC1=CC=C(C=C1)N(=O)=O

Other Names for this Substance

  • β-Alanine, N-[[(4-nitrophenyl)amino]carbonyl]-
  • β-Alanine, N-(p-nitrophenyl)carbamoyl]-
  • N-[[(4-Nitrophenyl)amino]carbonyl]-β-alanine
  • 3-[(4-Nitrophenyl)carbamoylamino]propanoic acid
  • 3-[[(4-Nitrophenyl)carbamoyl]amino]propanoic acid

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