ChemSpider 2D Image | N-[(5-Chloro-3-isopropyl-1-methyl-1H-pyrazol-4-yl)methyl]-2-phenyl-1-butanamine | C18H26ClN3

N-[(5-Chloro-3-isopropyl-1-methyl-1H-pyrazol-4-yl)methyl]-2-phenyl-1-butanamine

  • Molecular FormulaC18H26ClN3
  • Average mass319.872 Da
  • Monoisotopic mass319.181519 Da
  • ChemSpider ID30706094

More details:

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

1H-Pyrazole-4-methanamine, 5-chloro-1-methyl-3-(1-methylethyl)-N-(2-phenylbutyl)- [ACD/Index Name]
N-[(5-Chlor-3-isopropyl-1-methyl-1H-pyrazol-4-yl)methyl]-2-phenyl-1-butanamin [German] [ACD/IUPAC Name]
N-[(5-Chloro-3-isopropyl-1-methyl-1H-pyrazol-4-yl)methyl]-2-phenyl-1-butanamine [ACD/IUPAC Name]
N-[(5-Chloro-3-isopropyl-1-méthyl-1H-pyrazol-4-yl)méthyl]-2-phényl-1-butanamine [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 415.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.8±3.0 kJ/mol
Flash Point: 204.8±27.3 °C
Index of Refraction: 1.561
Molar Refractivity: 94.3±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 14.18
ACD/KOC (pH 5.5): 48.38
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 723.96
ACD/KOC (pH 7.4): 2470.32
Polar Surface Area: 30 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 35.7±7.0 dyne/cm
Molar Volume: 291.4±7.0 cm3

Click to predict properties on the Chemicalize site


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