N-(4-Methyl-2,6-dinitrophenyl)-β-alanine

CAS Registry Number®

866157-48-4
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CAS Name

N-(4-Methyl-2,6-dinitrophenyl)-β-alanine

Molecular Formula

C10H11N3O6

Molecular Mass

269.21

Cite this Page

N-(4-Methyl-2,6-dinitrophenyl)-β-alanine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=866157-48-4 (retrieved 2024-09-10) (CAS RN: 866157-48-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H11N3O6/c1-6-4-7(12(16)17)10(8(5-6)13(18)19)11-3-2-9(14)15/h4-5,11H,2-3H2,1H3,(H,14,15)

InChIKey

InChIKey=YTKCWLFDORXSBY-UHFFFAOYSA-N

SMILES

N(CCC(O)=O)C1=C(N(=O)=O)C=C(C)C=C1N(=O)=O

Canonical SMILES

O=C(O)CCNC=1C(=CC(=CC1N(=O)=O)C)N(=O)=O

Other Names for this Substance

  • β-Alanine, N-(4-methyl-2,6-dinitrophenyl)-
  • N-(4-Methyl-2,6-dinitrophenyl)-β-alanine
  • 3-(4-Methyl-2,6-dinitroanilino)propanoic acid
  • 3-[(4-Methyl-2,6-dinitrophenyl)amino]propanoic acid