2-Fluoro-L-histidine

Base Information

• Chemical Name: 2-Fluoro-L-histidine
• CAS No.: 57212-36-9
• Molecular Formula: C6H8 F N3 O2
• Molecular Weight: 173.15
• DSSTox Substance ID: DTXSID50205841
• Nikkaji Number: J77.693I
• Wikidata: Q76391043
• Mol file: 57212-36-9.mol

Synonyms:2-fluoro-L-histidine;2-fluorohistidine;2-fluorohistidine, (L)-isomer

Chemical Property of 2-Fluoro-L-histidine

Chemical Property:

• Vapor Pressure: 2E-08mmHg at 25°C
• Boiling Point: 437.5°C at 760 mmHg
• PKA: 1.85±0.10(Predicted)
• Flash Point: 218.4°C
• PSA: 92.00000
• Density: 1.529g/cm³
• LogP: 0.36160
• XLogP3: -2.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 173.06005467
• Heavy Atom Count: 12
• Complexity: 178

Purity/Quality:

98.5% ^*data from raw suppliers

2-FLUOROHISTIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(NC(=N1)F)CC(C(=O)O)N
• Isomeric SMILES: C1=C(NC(=N1)F)C[C@@H](C(=O)O)N