ChemSpider 2D Image | 2-[1-(3-Chlorophenyl)-1H-1,2,3-triazol-4-yl]-2-propanamine | C11H13ClN4

2-[1-(3-Chlorophenyl)-1H-1,2,3-triazol-4-yl]-2-propanamine

  • Molecular FormulaC11H13ClN4
  • Average mass236.701 Da
  • Monoisotopic mass236.082870 Da
  • ChemSpider ID28636654

More details:

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

1H-1,2,3-Triazole-4-methanamine, 1-(3-chlorophenyl)-α,α-dimethyl- [ACD/Index Name]
2-[1-(3-Chlorophenyl)-1H-1,2,3-triazol-4-yl]-2-propanamine [ACD/IUPAC Name]
2-[1-(3-Chlorophényl)-1H-1,2,3-triazol-4-yl]-2-propanamine [French] [ACD/IUPAC Name]
2-[1-(3-Chlorphenyl)-1H-1,2,3-triazol-4-yl]-2-propanamin [German] [ACD/IUPAC Name]
1-[1-(3-Chloro-phenyl)-1H-[1,2,3]triazol-4-yl]-1-methyl-ethylamine
2-[1-(3-chlorophenyl)-1H-1,2,3-triazol-4-yl]propan-2-amine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 396.0±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.6±3.0 kJ/mol
Flash Point: 193.3±30.7 °C
Index of Refraction: 1.629
Molar Refractivity: 64.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.36
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 3.81
ACD/KOC (pH 7.4): 65.53
Polar Surface Area: 57 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 182.6±7.0 cm3

Click to predict properties on the Chemicalize site


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