ChemSpider 2D Image | 2-(4-Chlorophenyl)-2-(1H-pyrazol-1-yl)-N-(3-pyridinylmethyl)ethanamine | C17H17ClN4

2-(4-Chlorophenyl)-2-(1H-pyrazol-1-yl)-N-(3-pyridinylmethyl)ethanamine

  • Molecular FormulaC17H17ClN4
  • Average mass312.797 Da
  • Monoisotopic mass312.114166 Da
  • ChemSpider ID30446702

More details:






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

2-(4-Chlorophenyl)-2-(1H-pyrazol-1-yl)-N-(3-pyridinylmethyl)ethanamine [ACD/IUPAC Name]
2-(4-Chlorophényl)-2-(1H-pyrazol-1-yl)-N-(3-pyridinylméthyl)éthanamine [French] [ACD/IUPAC Name]
2-(4-Chlorphenyl)-2-(1H-pyrazol-1-yl)-N-(3-pyridinylmethyl)ethanamin [German] [ACD/IUPAC Name]
3-Pyridinemethanamine, N-[2-(4-chlorophenyl)-2-(1H-pyrazol-1-yl)ethyl]- [ACD/Index Name]
[2-(4-CHLOROPHENYL)-2-(1H-PYRAZOL-1-YL)ETHYL][(PYRIDIN-3-YL)METHYL]AMINE
[2-(4-CHLOROPHENYL)-2-(PYRAZOL-1-YL)ETHYL](PYRIDIN-3-YLMETHYL)AMINE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 502.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.1±3.0 kJ/mol
Flash Point: 257.6±30.1 °C
Index of Refraction: 1.632
Molar Refractivity: 91.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 5.14
ACD/KOC (pH 5.5): 50.69
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 70.97
ACD/KOC (pH 7.4): 699.21
Polar Surface Area: 43 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 255.0±7.0 cm3

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