Boc-D-Phe(3-CN)-OH

Base Information

• Chemical Name: Boc-D-Phe(3-CN)-OH
• CAS No.: 205445-56-3
• Molecular Formula: C15H18N2O4
• Molecular Weight: 290.31
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID90427323
• Wikidata: Q72448966
• Mol file: 205445-56-3.mol

Synonyms:205445-56-3;Boc-D-Phe(3-CN)-OH;Boc-D-3-Cyanophenylalanine;Boc-3-cyano-D-phenylalanine;(R)-2-((tert-Butoxycarbonyl)amino)-3-(3-cyanophenyl)propanoic acid;(2R)-3-(3-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;Boc-D-3-Cyanophe;SCHEMBL5067241;DTXSID90427323;FDQDHMZKOPOWFE-GFCCVEGCSA-N;MFCD00797561;2'-chloro-6'-methylbiphenyl-4-amine;AKOS015836552;AC-9890;AM82768;CS-W010003;PS-12031;A50128;Boc-D-Phe(3-CN)-OH, >=98.0% (HPLC);Boc-D-3-Cyanophenylalanine (Boc-D-Phe(3-CN)-OH);J-013400;D-Phenylalanine, 3-cyano-N-[(1,1-dimethylethoxy)carbonyl]-

Chemical Property of Boc-D-Phe(3-CN)-OH

Chemical Property:

• Boiling Point: 485.4 °C at 760 mmHg
• PKA: 3.75±0.10(Predicted)
• Flash Point: 247.4 °C
• PSA: 99.42000
• Density: 1.22g/cm³
• LogP: 2.46958
• Storage Temp.: Store at 0°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 290.12665706
• Heavy Atom Count: 21
• Complexity: 433

Purity/Quality:

98%,99%, ^*data from raw suppliers

Boc-3-cyano-D-phenylalanine ^*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(=CC=C1)C#N)C(=O)O
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@H](CC1=CC(=CC=C1)C#N)C(=O)O