2-Aminomethyl-3-(4-trifluoromethoxy-phenyl)-propionic acid

Base Information

• Chemical Name: 2-Aminomethyl-3-(4-trifluoromethoxy-phenyl)-propionic acid
• CAS No.: 910443-94-6
• Molecular Formula: C11H12F3NO3
• Molecular Weight: 263.21
• DSSTox Substance ID: DTXSID20655576
• Mol file: 910443-94-6.mol

Synonyms:910443-94-6;2-aminomethyl-3-(4-trifluoromethoxy-phenyl)-propionic acid;2-Aminomethyl-3-(4-trifluoromethoxyphenyl)propionic acid;2-(Aminomethyl)-3-[4-(trifluoromethoxy)phenyl]propanoic acid;DTXSID20655576;AB35135;AB35138;AB35142;METHYL3-[(CHLOROACETYL)AMINO]BENZOATE;3-AMINO-2-(4-(TRIFLUOROMETHOXY)BENZYL)PROPANOICACID;3-amino-2-([4-(trifluoromethoxy)phenyl]methyl)propanoic acid;3-AMINO-2-(4-(TRIFLUOROMETHOXY)BENZYL)PROPANOIC ACID;(R)-2-AMINOMETHYL-3-(4-TRIFLUOROMETHOXY-PHENYL)-PROPIONIC ACID;(S)-2-AMINOMETHYL-3-(4-TRIFLUOROMETHOXY-PHENYL)-PROPIONIC ACID

Chemical Property of 2-Aminomethyl-3-(4-trifluoromethoxy-phenyl)-propionic acid

Chemical Property:

• Vapor Pressure: 6.88E-05mmHg at 25°C
• Boiling Point: 330°C at 760 mmHg
• PKA: 3.29±0.10(Predicted)
• Flash Point: 153.4°C
• PSA: 72.55000
• Density: 1.354g/cm³
• LogP: 2.48750
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 263.07692773
• Heavy Atom Count: 18
• Complexity: 275

Purity/Quality:

98%min ^*data from raw suppliers

3-Amino-2-(4-(trifluoromethoxy)benzyl)propanoicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(CN)C(=O)O)OC(F)(F)F