ChemSpider 2D Image | N-Benzyl-4-chloro-N-(3-phenyl-2-propyn-1-yl)-1-butanamine | C20H22ClN

N-Benzyl-4-chloro-N-(3-phenyl-2-propyn-1-yl)-1-butanamine

  • Molecular FormulaC20H22ClN
  • Average mass311.848 Da
  • Monoisotopic mass311.144073 Da
  • ChemSpider ID26033989

More details:

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

Benzenemethanamine, N-(4-chlorobutyl)-N-(3-phenyl-2-propyn-1-yl)- [ACD/Index Name]
N-Benzyl-4-chlor-N-(3-phenyl-2-propin-1-yl)-1-butanamin [German] [ACD/IUPAC Name]
N-Benzyl-4-chloro-N-(3-phenyl-2-propyn-1-yl)-1-butanamine [ACD/IUPAC Name]
N-Benzyl-4-chloro-N-(3-phényl-2-propyn-1-yl)-1-butanamine [French] [ACD/IUPAC Name]
benzyl(4-chlorobutyl)(3-phenylprop-2-yn-1-yl)amine
N-benzyl-4-chloro-N-(3-phenylprop-2-yn-1-yl)butan-1-amine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 431.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.7±3.0 kJ/mol
Flash Point: 214.4±25.9 °C
Index of Refraction: 1.590
Molar Refractivity: 95.2±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.61
ACD/LogD (pH 5.5): 5.15
ACD/BCF (pH 5.5): 3405.52
ACD/KOC (pH 5.5): 7835.75
ACD/LogD (pH 7.4): 5.75
ACD/BCF (pH 7.4): 13613.02
ACD/KOC (pH 7.4): 31322.11
Polar Surface Area: 3 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 282.3±5.0 cm3

Click to predict properties on the Chemicalize site


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