Phenyldehydroalanine

Base Information

• Chemical Name: Phenyldehydroalanine
• CAS No.: 7060-39-1
• Molecular Formula: C₉H₉NO₂
• Molecular Weight: 163.176
• Nikkaji Number: J1.125.859J,J702.536J
• Wikidata: Q27095325
• Metabolomics Workbench ID: 149024
• Mol file: 7060-39-1.mol

Synonyms:2,3-didehydrophenylalanine;alpha-aminocinnamate;dehydrophenylalanine;phenyldehydroalanine;phenyldehydroalanine, (E)-isomer;phenyldehydroalanine, (Z)-isomer;phenyldehydroalanine, sodium salt

Chemical Property of Phenyldehydroalanine

Chemical Property:

• Vapor Pressure: 5.59E-05mmHg at 25°C
• Boiling Point: 333°C at 760 mmHg
• PKA: 0.75±0.10(Predicted)
• Flash Point: 155.2°C
• PSA: 63.32000
• Density: 1.269g/cm³
• LogP: 1.77110
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 163.063328530
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

98%min ^*data from raw suppliers

DehydroPhenylalanine(cis/transMixture) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=C(C(=O)O)N
• Isomeric SMILES: C1=CC=C(C=C1)/C=C(/C(=O)O)\N
• Uses: Dehydro Phenylalanine (cis/trans Mixture) for the corresponding natural amino acid Phenylalanine. It is used for stabilization of unusual structures in peptides. The α,β-dehydro analog for the corresponding natural amino acid Phenylalanine. It is used for stabilization of unusual structures in peptides.