ChemSpider 2D Image | 1-(3-Amino-1H-1,2,4-triazol-5-yl)-N-(2-chlorobenzyl)-N-[2-(4-chlorophenyl)ethyl]-4-piperidinamine | C22H26Cl2N6

1-(3-Amino-1H-1,2,4-triazol-5-yl)-N-(2-chlorobenzyl)-N-[2-(4-chlorophenyl)ethyl]-4-piperidinamine

  • Molecular FormulaC22H26Cl2N6
  • Average mass445.388 Da
  • Monoisotopic mass444.159607 Da
  • ChemSpider ID76757681

More details:

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

1-(3-Amino-1H-1,2,4-triazol-5-yl)-N-(2-chlorbenzyl)-N-[2-(4-chlorphenyl)ethyl]-4-piperidinamin [German] [ACD/IUPAC Name]
1-(3-Amino-1H-1,2,4-triazol-5-yl)-N-(2-chlorobenzyl)-N-[2-(4-chlorophenyl)ethyl]-4-piperidinamine [ACD/IUPAC Name]
1-(3-Amino-1H-1,2,4-triazol-5-yl)-N-(2-chlorobenzyl)-N-[2-(4-chlorophényl)éthyl]-4-pipéridinamine [French] [ACD/IUPAC Name]
4-Piperidinamine, 1-(3-amino-1H-1,2,4-triazol-5-yl)-N-[2-(4-chlorophenyl)ethyl]-N-[(2-chlorophenyl)methyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 640.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 341.2±34.3 °C
Index of Refraction: 1.672
Molar Refractivity: 121.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 1.71
ACD/KOC (pH 5.5): 8.27
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 563.28
ACD/KOC (pH 7.4): 2722.82
Polar Surface Area: 74 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 72.2±5.0 dyne/cm
Molar Volume: 325.1±5.0 cm3

Click to predict properties on the Chemicalize site


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