1-({[3-(Trifluoromethyl)phenyl]methyl}amino)cyclohexane-1-carboxylic acid

Base Information

• Chemical Name: 1-({[3-(Trifluoromethyl)phenyl]methyl}amino)cyclohexane-1-carboxylic acid
• CAS No.: 939761-12-3
• Molecular Formula: C15H18F3NO2.ClH
• Molecular Weight: 337.767
• DSSTox Substance ID: DTXSID40585588
• Mol file: 939761-12-3.mol

Synonyms:939761-12-3;1-({[3-(Trifluoromethyl)phenyl]methyl}amino)cyclohexane-1-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carboxylic acid;DTXSID40585588

Chemical Property of 1-({[3-(Trifluoromethyl)phenyl]methyl}amino)cyclohexane-1-carboxylic acid

Chemical Property:

• Boiling Point: 390.1±42.0 °C(Predicted)
• PKA: 2.52±0.20(Predicted)
• PSA: 49.33000
• Density: 1.27±0.1 g/cm3(Predicted)
• LogP: 4.77540
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 301.12896330
• Heavy Atom Count: 21
• Complexity: 364

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)(C(=O)O)NCC2=CC(=CC=C2)C(F)(F)F