N-[2-(2-Fluorophenyl)acetyl]-isoleucine

Base Information

• Chemical Name: N-[2-(2-Fluorophenyl)acetyl]-isoleucine
• CAS No.: 1101832-85-2
• Molecular Formula: C14H18FNO3
• Molecular Weight: 267.2960232
• DSSTox Substance ID: DTXSID50588601
• Mol file: 1101832-85-2.mol

Synonyms:N-[2-(2-Fluorophenyl)acetyl]-isoleucine;1101832-85-2;2-[[2-(2-fluorophenyl)acetyl]amino]-3-methylpentanoic acid;DTXSID50588601;N-[(2-Fluorophenyl)acetyl]isoleucine;AKOS000146049;AKOS017272128;DB-083273

Chemical Property of N-[2-(2-Fluorophenyl)acetyl]-isoleucine

Chemical Property:

• Boiling Point: 477.1±35.0 °C(Predicted)
• PKA: 3.49±0.10(Predicted)
• PSA: 69.89000
• Density: 1.178±0.06 g/cm3(Predicted)
• LogP: 2.82400
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 267.12707160
• Heavy Atom Count: 19
• Complexity: 322

Purity/Quality:

97% ^*data from raw suppliers

N-[2-(2-FLUOROPHENYL)ACETYL]-ISOLEUCINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(C(=O)O)NC(=O)CC1=CC=CC=C1F