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CAS 331763-78-1

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Benzenebutanoic acid, β-amino-4-nitro-, hydrochloride (1:1), (βR)-

Description:
Benzenebutanoic acid, β-amino-4-nitro-, hydrochloride (1:1), (βR)-, is a chemical compound characterized by its structural features that include a benzenebutanoic acid backbone with a β-amino group and a nitro substituent at the para position of the benzene ring. This compound is typically encountered as a hydrochloride salt, which enhances its solubility in aqueous solutions. The presence of the amino group contributes to its basicity, while the nitro group introduces electron-withdrawing characteristics, influencing its reactivity and potential biological activity. The (βR)- designation indicates a specific stereochemistry at the β-carbon, which can affect the compound's interaction with biological targets. This compound may be of interest in pharmaceutical research due to its potential applications in medicinal chemistry, particularly in the development of drugs targeting various biological pathways. Its properties, such as melting point, solubility, and stability, would be influenced by the functional groups present and the overall molecular structure.
Formula:C10H12N2O4·ClH
InChI:InChI=1S/C10H12N2O4.ClH/c11-8(6-10(13)14)5-7-1-3-9(4-2-7)12(15)16;/h1-4,8H,5-6,11H2,(H,13,14);1H/t8-;/m1./s1
InChI key:InChIKey=WPIIXVVGUXXORP-DDWIOCJRSA-N
SMILES:C([C@H](CC(O)=O)N)C1=CC=C(N(=O)=O)C=C1.Cl
Synonyms:
  • (R)-3-Amino-4-(4-Nitrophenyl)Butanoic Acid Hydrochloride
  • Benzenebutanoic acid, β-amino-4-nitro-, hydrochloride (1:1), (βR)-
  • Benzenebutanoic acid, β-amino-4-nitro-, monohydrochloride, (βR)-
  • Fmoc-D-β-HoPhe(4-NO2)-OH.HCl
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