ChemSpider 2D Image | N-[(1R)-1-(1-Naphthyl)ethyl]-3-[3-(trifluoromethyl)phenyl]-1-(1,1,3-~2~H_3_)propanamine | C22H19D3F3N

N-[(1R)-1-(1-Naphthyl)ethyl]-3-[3-(trifluoromethyl)phenyl]-1-(1,1,3-2H3)propanamine

  • Molecular FormulaC22H19D3F3N
  • Average mass360.431 Da
  • Monoisotopic mass360.189270 Da
  • ChemSpider ID58793390

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1-Naphthalenemethanamine, α-methyl-N-[3-[3-(trifluoromethyl)phenyl]propyl-1,1,3-d3]-, (αR)- [ACD/Index Name]
N-[(1R)-1-(1-Naphthyl)ethyl]-3-[3-(trifluormethyl)phenyl]-1-(1,1,3-2H3)propanamin [German] [ACD/IUPAC Name]
N-[(1R)-1-(1-Naphthyl)ethyl]-3-[3-(trifluoromethyl)phenyl]-1-(1,1,3-2H3)propanamine [ACD/IUPAC Name]
N-[(1R)-1-(1-Naphtyl)éthyl]-3-[3-(trifluorométhyl)phényl]-1-(1,1,3-2H3)propanamine [French] [ACD/IUPAC Name]
226256-56-0 [RN]
MFCD09840270

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 440.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.8±3.0 kJ/mol
Flash Point: 220.5±28.7 °C
Index of Refraction: 1.563
Molar Refractivity: 100.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.74
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 15.12
ACD/KOC (pH 5.5): 34.12
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 252.76
ACD/KOC (pH 7.4): 570.34
Polar Surface Area: 12 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 36.9±3.0 dyne/cm
Molar Volume: 309.7±3.0 cm3

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