ChemSpider 2D Image | 3-(4-Methyl-1-piperazinyl)-N-[(3-nitrophenyl)(~2~H_1_)methyl]-7-(trifluoromethyl)-5-quinolinamine | C22H21DF3N5O2

3-(4-Methyl-1-piperazinyl)-N-[(3-nitrophenyl)(2H1)methyl]-7-(trifluoromethyl)-5-quinolinamine

  • Molecular FormulaC22H21DF3N5O2
  • Average mass446.444 Da
  • Monoisotopic mass446.178833 Da
  • ChemSpider ID34226892

  • Non-standard isotope - Non-standard isotope

More details:

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

3-(4-Methyl-1-piperazinyl)-N-[(3-nitrophenyl)(2H1)methyl]-7-(trifluormethyl)-5-chinolinamin [German] [ACD/IUPAC Name]
3-(4-Méthyl-1-pipérazinyl)-N-[(3-nitrophényl)(2H1)méthyl]-7-(trifluorométhyl)-5-quinoléinamine [French] [ACD/IUPAC Name]
3-(4-Methyl-1-piperazinyl)-N-[(3-nitrophenyl)(2H1)methyl]-7-(trifluoromethyl)-5-quinolinamine [ACD/IUPAC Name]
5-Quinolinamine, 3-(4-methyl-1-piperazinyl)-N-[(3-nitrophenyl)methyl-d]-7-(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 589.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 310.2±30.1 °C
Index of Refraction: 1.633
Molar Refractivity: 116.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 34.39
ACD/KOC (pH 5.5): 161.20
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 816.26
ACD/KOC (pH 7.4): 3826.13
Polar Surface Area: 77 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 325.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement