2-(Fluoromethyl)dehydroornithine methyl ester

Base Information

• Chemical Name: 2-(Fluoromethyl)dehydroornithine methyl ester
• CAS No.: 96681-91-3
• Molecular Formula: C7H13 F N2 O2
• Molecular Weight: 176.19

Synonyms:2,5-diamino-2-(fluoromethyl)-3-pentenoic acid methyl ester;2-(fluoromethyl)dehydroornithine methyl ester;alpha-monofluoromethyldehydroornithine methyl ester;MDL 72403;MDL-72403

Chemical Property of 2-(Fluoromethyl)dehydroornithine methyl ester

Chemical Property:

• Vapor Pressure: 0.00487mmHg at 25°C
• Boiling Point: 276.2°Cat760mmHg
• Flash Point: 120.8°C
• PSA: 78.34000
• Density: 1.143g/cm³
• LogP: 0.74190
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 176.09610582
• Heavy Atom Count: 12
• Complexity: 184

Purity/Quality:

99%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(CF)(C=CCN)N
• Isomeric SMILES: COC(=O)C(CF)(/C=C/CN)N

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