Boc-D-His(dnp)-OH isopropanol solvate

Base Information

• Chemical Name: Boc-D-His(dnp)-OH isopropanol solvate
• CAS No.: 204125-02-0
• Molecular Formula: C17H19 N5 O8
• Molecular Weight: 421.36
• European Community (EC) Number: 691-640-5
• Mol file: 204125-02-0.mol

Synonyms:204125-02-0;Boc-D-His(dnp)-OH isopropanol solvate;iso-Boc-D-His(Dnp)-OH;3-[3-(2,4-dinitrophenyl)imidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;3-[3-(2, 4-dinitrophenyl)imidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Chemical Property of Boc-D-His(dnp)-OH isopropanol solvate

Chemical Property:

• Boiling Point: 663.2±55.0 °C(Predicted)
• PKA: 3.44±0.10(Predicted)
• PSA: 185.09000
• Density: 1.49±0.1 g/cm3(Predicted)
• LogP: 3.64640
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 421.12336258
• Heavy Atom Count: 30
• Complexity: 671

Purity/Quality:

98.5% ^*data from raw suppliers

Nα-Boc-Nim-2,4-dinitrophenyl-D-histidine·isopropanol,≥99.5%(ChiralHPLC) ≥99.5%(ChiralHPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CC1=CN=CN1C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O