ChemSpider 2D Image | 3-Methyl-1-[3-(trifluoromethyl)phenyl]-1-butanamine | C12H16F3N

3-Methyl-1-[3-(trifluoromethyl)phenyl]-1-butanamine

  • Molecular FormulaC12H16F3N
  • Average mass231.257 Da
  • Monoisotopic mass231.123489 Da
  • ChemSpider ID19257681

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-Methyl-1-[3-(trifluormethyl)phenyl]-1-butanamin [German] [ACD/IUPAC Name]
3-Methyl-1-[3-(trifluoromethyl)phenyl]-1-butanamine [ACD/IUPAC Name]
3-Méthyl-1-[3-(trifluorométhyl)phényl]-1-butanamine [French] [ACD/IUPAC Name]
Benzenemethanamine, α-(2-methylpropyl)-3-(trifluoromethyl)- [ACD/Index Name]
1020972-76-2 [RN]
3-methyl-1-(3-(trifluoromethyl)phenyl)butan-1-amine
3-methyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
MFCD11148423 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 240.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.7±3.0 kJ/mol
Flash Point: 102.0±10.6 °C
Index of Refraction: 1.466
Molar Refractivity: 58.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.11
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 7.22
ACD/KOC (pH 7.4): 52.13
Polar Surface Area: 26 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 28.5±3.0 dyne/cm
Molar Volume: 210.1±3.0 cm3

Click to predict properties on the Chemicalize site






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