ChemSpider 2D Image | cis-N-(5-Chloro-6-methoxy-3-pyridinyl)-N'-(3-chloro[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-cyclohexanediamine | C17H19Cl2N7O

cis-N-(5-Chloro-6-methoxy-3-pyridinyl)-N'-(3-chloro[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-cyclohexanediamine

  • Molecular FormulaC17H19Cl2N7O
  • Average mass408.285 Da
  • Monoisotopic mass407.102814 Da
  • ChemSpider ID129237315

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,4-Cyclohexanediamine, N1-(5-chloro-6-methoxy-3-pyridinyl)-N4-(3-chloro-1,2,4-triazolo[4,3-b]pyridazin-6-yl)-, cis- [ACD/Index Name]
cis-N-(5-Chlor-6-methoxy-3-pyridinyl)-N'-(3-chlor[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-cyclohexandiamin [German] [ACD/IUPAC Name]
cis-N-(5-Chloro-6-methoxy-3-pyridinyl)-N'-(3-chloro[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-cyclohexanediamine [ACD/IUPAC Name]
cis-N-(5-Chloro-6-méthoxy-3-pyridinyl)-N'-(3-chloro[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-cyclohexanediamine [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.744
Molar Refractivity: 103.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 47.88
ACD/KOC (pH 5.5): 553.11
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.45
ACD/KOC (pH 7.4): 559.68
Polar Surface Area: 89 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 60.9±7.0 dyne/cm
Molar Volume: 255.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement