ChemSpider 2D Image | N-[(1-Butyl-5-chloro-3-methyl-1H-pyrazol-4-yl)methyl]-2-phenyl-1-propanamine | C18H26ClN3

N-[(1-Butyl-5-chloro-3-methyl-1H-pyrazol-4-yl)methyl]-2-phenyl-1-propanamine

  • Molecular FormulaC18H26ClN3
  • Average mass319.872 Da
  • Monoisotopic mass319.181519 Da
  • ChemSpider ID30567913

More details:

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

1H-Pyrazole-4-methanamine, 1-butyl-5-chloro-3-methyl-N-(2-phenylpropyl)- [ACD/Index Name]
N-[(1-Butyl-5-chlor-3-methyl-1H-pyrazol-4-yl)methyl]-2-phenyl-1-propanamin [German] [ACD/IUPAC Name]
N-[(1-Butyl-5-chloro-3-methyl-1H-pyrazol-4-yl)methyl]-2-phenyl-1-propanamine [ACD/IUPAC Name]
N-[(1-Butyl-5-chloro-3-méthyl-1H-pyrazol-4-yl)méthyl]-2-phényl-1-propanamine [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: 433.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.9±3.0 kJ/mol
Flash Point: 216.0±27.3 °C
Index of Refraction: 1.560
Molar Refractivity: 94.5±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 12.96
ACD/KOC (pH 5.5): 44.72
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 661.48
ACD/KOC (pH 7.4): 2282.66
Polar Surface Area: 30 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 36.8±7.0 dyne/cm
Molar Volume: 292.3±7.0 cm3

Click to predict properties on the Chemicalize site


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