ChemSpider 2D Image | N-{2-[1-(4-Methylphenyl)-1H-tetrazol-5-yl]-2-butanyl}-3-(trifluoromethyl)aniline | C19H20F3N5

N-{2-[1-(4-Methylphenyl)-1H-tetrazol-5-yl]-2-butanyl}-3-(trifluoromethyl)aniline

  • Molecular FormulaC19H20F3N5
  • Average mass375.391 Da
  • Monoisotopic mass375.167084 Da
  • ChemSpider ID28347202

More details:






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

1H-Tetrazole-5-methanamine, α-ethyl-α-methyl-1-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
N-{2-[1-(4-Methylphenyl)-1H-tetrazol-5-yl]-2-butanyl}-3-(trifluormethyl)anilin [German] [ACD/IUPAC Name]
N-{2-[1-(4-Methylphenyl)-1H-tetrazol-5-yl]-2-butanyl}-3-(trifluoromethyl)aniline [ACD/IUPAC Name]
N-{2-[1-(4-Méthylphényl)-1H-tétrazol-5-yl]-2-butanyl}-3-(trifluorométhyl)aniline [French] [ACD/IUPAC Name]
N-{1-methyl-1-[1-(4-methylphenyl)-1H-tetrazol-5-yl]propyl}-3-(trifluoromethyl)aniline

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

Density: 1.3±0.1 g/cm3
Boiling Point: 506.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 260.2±32.9 °C
Index of Refraction: 1.574
Molar Refractivity: 98.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.52
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2503.13
ACD/KOC (pH 5.5): 9421.80
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2505.04
ACD/KOC (pH 7.4): 9429.01
Polar Surface Area: 56 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 38.3±7.0 dyne/cm
Molar Volume: 299.3±7.0 cm3

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