(S)-3-((tert-Butoxycarbonyl)amino)-3-(4-fluorophenyl)propanoic acid

Base Information

• Chemical Name: (S)-3-((tert-Butoxycarbonyl)amino)-3-(4-fluorophenyl)propanoic acid
• CAS No.: 479064-88-5
• Molecular Formula: C14H18FNO4
• Molecular Weight: 283.3
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID801144413
• Mol file: 479064-88-5.mol

Synonyms:479064-88-5;(S)-3-((tert-Butoxycarbonyl)amino)-3-(4-fluorophenyl)propanoic acid;Boc-(S)-3-Amino-3-(4-fluoro-phenyl)-propionic acid;Boc-(S)-3-amino-3-(4-fluorophenyl)propionic acid;Boc-L-3-Amino-3-(4-fluorophenyl)-propionic acid;(3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(4-fluorophenyl)propanoic acid;(3S)-3-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(S)-Boc-4-fluoro-beta-Phe-OH;SCHEMBL3339675;WRVBNEFIXONNFA-NSHDSACASA-N;DTXSID801144413;(S)-3-((tert-Butoxycarbonyl)amino)-3-(4-fluorophenyl)propanoicacid;AM9558;MFCD03427919;AKOS016842513;CS-W014003;AC-22033;PS-12365;A50444;EN300-1162705;A827371;(S)-3-(BOC-amino)-3-(4-fluorophenyl)propanoic acid;(S)-Boc-4-fluoro-beta-Phe-OH, >=98.0% (HPLC);(3S)-3-[(tert-butoxycarbonyl)amino]-3-(4-fluorophenyl)propanoic acid;(betaS)-beta-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-fluorobenzenepropanoic acid;Benzenepropanoic acid,b-[[(1,1-dimethylethoxy)carbonyl]amino]-4-fluoro-, (bS)-

Chemical Property of (S)-3-((tert-Butoxycarbonyl)amino)-3-(4-fluorophenyl)propanoic acid

Chemical Property:

• Vapor Pressure: 5.8E-08mmHg at 25°C
• Refractive Index: 1.516
• Boiling Point: 424.5 °C at 760 mmHg
• PKA: 4.31±0.10(Predicted)
• Flash Point: 210.5 °C
• PSA: 75.63000
• Density: 1.215 g/cm³
• LogP: 3.25710
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 283.12198622
• Heavy Atom Count: 20
• Complexity: 346

Purity/Quality:

99%, ^*data from raw suppliers

(S)-Boc-4-fluoro-β-Phe-OH ≥98.0% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=C(C=C1)F
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C1=CC=C(C=C1)F