(S)-3-((tert-Butoxycarbonyl)amino)-4-(3,4-dichlorophenyl)butanoic acid

Base Information

• Chemical Name: (S)-3-((tert-Butoxycarbonyl)amino)-4-(3,4-dichlorophenyl)butanoic acid
• CAS No.: 270063-51-9
• Molecular Formula: C15H19Cl2NO4
• Molecular Weight: 348.22
• DSSTox Substance ID: DTXSID301138790
• Mol file: 270063-51-9.mol

Synonyms:270063-51-9;(S)-3-((tert-Butoxycarbonyl)amino)-4-(3,4-dichlorophenyl)butanoic acid;Boc-(S)-3-amino-4-(3,4-dichloro-phenyl)-butyric acid;Boc-(S)-3-amino-4-(3,4-dichlorophenyl)butyric acid;(3S)-4-(3,4-dichlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;(3S)-3-{[(tert-butoxy)carbonyl]amino}-4-(3,4-dichlorophenyl)butanoic acid;MFCD01861047;Boc-3,4-dichloro-L-beta-homophenylalanine;SCHEMBL1519890;Boc-(S)-3-Amino-4-(3,4-dichlorophenyl)-butyric acid;WJEUUKADFJNOHW-JTQLQIEISA-N;DTXSID301138790;AKOS015948751;DS-7830;AC-22175;CS-0154499;A877064;(S)-3-(BOC-AMINO)-4-(3,4-DICHLORO-PHENYL)-BUTYRIC ACID;(S)-3-((tert-Butoxycarbonyl)amino)-4-(3,4-dichlorophenyl)butanoicacid;(S)-3-(tert-butoxycarbonylamino)-4-(3,4-dichlorophenyl)butanoic acid;Boc-(S)-3-AMINO-4-(3 pound not4-DICHLORO-PHENYL)-BUTYRIC ACID;(betaS)-3,4-Dichloro-beta-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid

Chemical Property of (S)-3-((tert-Butoxycarbonyl)amino)-4-(3,4-dichlorophenyl)butanoic acid

Chemical Property:

• Vapor Pressure: 1.31E-10mmHg at 25°C
• Refractive Index: 1.543
• Boiling Point: 494.8 °C at 760 mmHg
• PKA: 4.36±0.10(Predicted)
• Flash Point: 253 °C
• PSA: 75.63000
• Density: 1.294 g/cm³
• LogP: 4.29480
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 347.0691135
• Heavy Atom Count: 22
• Complexity: 398

Purity/Quality:

98%min ^*data from raw suppliers

Boc-3,4-dichloro-L-beta-homophenylalanine ^*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(CC1=CC(=C(C=C1)Cl)Cl)CC(=O)O
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC(=C(C=C1)Cl)Cl)CC(=O)O