(S)-3-((tert-butoxycarbonyl)amino)-4-(4-cyanophenyl)butanoic acid

Base Information

• Chemical Name: (S)-3-((tert-butoxycarbonyl)amino)-4-(4-cyanophenyl)butanoic acid
• CAS No.: 270065-89-9
• Molecular Formula: C16H20N2O4
• Molecular Weight: 304.34
• DSSTox Substance ID: DTXSID601148564
• Mol file: 270065-89-9.mol

Synonyms:270065-89-9;(S)-3-((tert-butoxycarbonyl)amino)-4-(4-cyanophenyl)butanoic acid;Boc-(S)-3-Amino-4-(4-cyano-phenyl)-butyric acid;Boc-(S)-3-Amino-4-(4-cyanophenyl)butanoic acid;(3S)-4-(4-cyanophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic Acid;Boc-(S)-3-amino-4-(4-cyanophenyl)-butyric acid;Boc-4-cyano-L-beta-homophenylalanine;DTXSID601148564;VKA06589;MFCD01861079;(S)-Boc-4-cyano-(2)-Homophe-OH;AKOS025401560;CS-W014535;AC-22193;PS-12310;D82142;Boc-(S)-3-Amino-4-(4-cyanophenyl)butyric acid;EN300-12576535;(S)-Boc-4-cyano-beta-Homophe-OH, >=98.0% (HPLC);(S)-3-((tert-butoxycarbonyl)amino)-4-(4-cyanophenyl)butanoicacid;(S)-3-(tert-butoxycarbonylamino)-4-(4-cyanophenyl)butanoic acid;(3S)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-cyanophenyl)butanoic acid;(betaS)-4-Cyano-beta-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid

Chemical Property of (S)-3-((tert-butoxycarbonyl)amino)-4-(4-cyanophenyl)butanoic acid

Chemical Property:

• Vapor Pressure: 3.2E-11mmHg at 25°C
• Refractive Index: 1.544
• Boiling Point: 509.912 °C at 760 mmHg
• Flash Point: 262.186 °C
• PSA: 99.42000
• Density: 1.2 g/cm³
• LogP: 2.85968
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 304.14230712
• Heavy Atom Count: 22
• Complexity: 439

Purity/Quality:

98%min ^*data from raw suppliers

Boc-?(S)?-?3-?amino-?4-?(4-?cyanophenyl)?butanoicAcid ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C#N)CC(=O)O
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)C#N)CC(=O)O
• Uses: Boc-(S)-3-amino-4-(4-cyanophenyl)butanoic Acid has been used as a reactant for the preparation of GSK 923295 as inhibitor of centromere-associated protein E.