N-(1-(3-(Trifluoromethyl)phenyl)propan-2-yl)butan-1-amine

Base Information

• Chemical Name: N-(1-(3-(Trifluoromethyl)phenyl)propan-2-yl)butan-1-amine
• CAS No.: 52742-18-4
• Molecular Formula: C14H20F3N
• Molecular Weight: 259.31
• DSSTox Substance ID: DTXSID70967191
• Nikkaji Number: J71.125J
• Mol file: 52742-18-4.mol

Synonyms:52742-18-4;N-(1-(3-(Trifluoromethyl)phenyl)propan-2-yl)butan-1-amine;N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]butan-1-amine;N-Butyl-alpha-methyl-m-trifluoromethylphenethylamine;Phenethylamine, N-butyl-alpha-methyl-m-trifluoromethyl-;N-{1-[3-(Trifluoromethyl)phenyl]propan-2-yl}butan-1-amine;C14H20F3N;DTXSID70967191;VCYPVYLZISLFHR-UHFFFAOYSA-N;AKOS028108744;DS-19358;LS-103196;N-Butyl-3-(trifluoromethyl)-alpha-methylbenzeneethanamine;Benzeneethanamine, N-butyl-.alpha.-methyl-3-(trifluoromethyl)-

Chemical Property of N-(1-(3-(Trifluoromethyl)phenyl)propan-2-yl)butan-1-amine

Chemical Property:

• Vapor Pressure: 0.00382mmHg at 25°C
• Boiling Point: 280.3°C at 760 mmHg
• PKA: 10.31±0.29(Predicted)
• Flash Point: 123.3°C
• PSA: 12.03000
• Density: 1.047g/cm³
• LogP: 4.41700
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 259.15478413
• Heavy Atom Count: 18
• Complexity: 228

Purity/Quality:

99% ^*data from raw suppliers

N-(1-(3-(Trifluoromethyl)phenyl)propan-2-yl)butan-1-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNC(C)CC1=CC(=CC=C1)C(F)(F)F