CAS 270065-85-5: (βS)-β-Amino-3-cyanobenzenebutanoic acid

Description: (βS)-β-Amino-3-cyanobenzenebutanoic acid, with the CAS number 270065-85-5, is an organic compound characterized by its amino acid structure, which includes a cyanobenzene moiety. This compound features a β-amino group, indicating that the amino group is positioned on the β-carbon relative to the carboxylic acid functional group. The presence of the cyanobenzene group contributes to its unique chemical properties, potentially influencing its reactivity and interactions with biological systems. The compound is likely to exhibit polar characteristics due to the amino and carboxylic acid functional groups, which can engage in hydrogen bonding. Additionally, the presence of the cyano group may impart specific electronic properties, making it of interest in various chemical applications, including pharmaceuticals and materials science. Its stereochemistry, denoted by the (βS) configuration, suggests that it has a specific spatial arrangement that could affect its biological activity and interactions. Overall, this compound represents a fascinating intersection of amino acid chemistry and aromatic compounds.

Formula: C₁₁H₁₂N₂O₂

InChI: InChI=1S/C11H12N2O2/c12-7-9-3-1-2-8(4-9)5-10(13)6-11(14)15/h1-4,10H,5-6,13H2,(H,14,15)/t10-/m0/s1

InChI key: InChIKey=CSBSIUBNUHRWDO-JTQLQIEISA-N

SMILES: N#CC1=CC=CC(=C1)CC(N)CC(=O)O

Synonyms:

• (3S)-3-Amino-4-(3-cyanophenyl)butanoic acid
• (3S)-3-amino-4-(3-cyanophenyl)butanoic acid hydrochloride
• (S)-3-Amino-4-(3-Cyanophenyl)Butanoic Acid Hydrochloride
• (βS)-β-Amino-3-cyanobenzenebutanoic acid
• Benzenebutanoic acid, β-amino-3-cyano-, (βS)-
• H-β-HoPhe(3-CN)-OH.HCl

(S)-3-AMINO-4-(3-CYANOPHENYL)BUTANOIC ACID HYDROCHLORIDE

CAS: 270065-85-5

• Formula: C₁₁H₁₃ClN₂O₂
• Molecular weight: 240.6861

(S)-3-Amino-4-(3-cyanophenyl)butanoic acid

CAS: 270065-85-5

• Purity: 97%
• Molecular weight: 204.22900390625

(S)-3-Amino-4-(3-cyanophenyl)butanoic acid hydrochloride

CAS: 270065-85-5

• Purity: 95.0%
• Molecular weight: 240.69000244140625

3-Cyano-L-β-homophenylalanine hydrochloride

CAS: 270065-85-5

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• Formula: C₁₁H₁₂N₂O₂·HCl
• Purity: Min. 95%
• Molecular weight: 240.69 g/mol