2-((tert-Butoxycarbonyl)amino)-2-(4-cyanophenyl)acetic acid

Base Information

• Chemical Name: 2-((tert-Butoxycarbonyl)amino)-2-(4-cyanophenyl)acetic acid
• CAS No.: 1111737-56-4
• Molecular Formula: C14H16N2O4
• Molecular Weight: 276.28784
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID50585610
• Mol file: 1111737-56-4.mol

Synonyms:1111737-56-4;2-((tert-Butoxycarbonyl)amino)-2-(4-cyanophenyl)acetic acid;2-(4-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-{[(tert-butoxy)carbonyl]amino}-2-(4-cyanophenyl)acetic acid;Tert-butoxycarbonylamino-(4-cyanophenyl)acetic acid;SCHEMBL3645286;tert-Butoxycarbonylamino-(4-cyano-phenyl)-acetic acid;DTXSID50585610;LHQRGJCTILOATO-UHFFFAOYSA-N;2-((tert-Butoxycarbonyl)amino)-2-(4- cyanophenyl)acetic acid;EN300-316241;Y14603;[(tert-Butoxycarbonyl)amino](4-cyanophenyl)acetic acid;2-((tert-Butoxycarbonyl)amino)-2-(4-cyanophenyl)aceticacid;2-(tert-butoxycarbonylamino)-2-(4-cyanophenyl)acetic acid

Chemical Property of 2-((tert-Butoxycarbonyl)amino)-2-(4-cyanophenyl)acetic acid

Chemical Property:

• Boiling Point: 478.2±45.0 °C(Predicted)
• PKA: 3.14±0.10(Predicted)
• PSA: 102.91000
• Density: 1.24±0.1 g/cm3(Predicted)
• LogP: 2.41308
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 276.11100700
• Heavy Atom Count: 20
• Complexity: 411

Purity/Quality:

98%min ^*data from raw suppliers

2-((tert-Butoxycarbonyl)amino)-2-(4-cyanophenyl)aceticacid 95+% ^*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(C1=CC=C(C=C1)C#N)C(=O)O