ChemSpider 2D Image | [4-(4-Chlorophenyl)-1-piperazinyl][trans-4-(1H-tetrazol-1-ylmethyl)cyclohexyl]methanone | C19H25ClN6O

[4-(4-Chlorophenyl)-1-piperazinyl][trans-4-(1H-tetrazol-1-ylmethyl)cyclohexyl]methanone

  • Molecular FormulaC19H25ClN6O
  • Average mass388.894 Da
  • Monoisotopic mass388.177826 Da
  • ChemSpider ID28822903

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[4-(4-Chlorophenyl)-1-piperazinyl][trans-4-(1H-tetrazol-1-ylmethyl)cyclohexyl]methanone [ACD/IUPAC Name]
[4-(4-Chlorophényl)-1-pipérazinyl][trans-4-(1H-tétrazol-1-ylméthyl)cyclohexyl]méthanone [French] [ACD/IUPAC Name]
[4-(4-Chlorphenyl)-1-piperazinyl][trans-4-(1H-tetrazol-1-ylmethyl)cyclohexyl]methanon [German] [ACD/IUPAC Name]
Methanone, [4-(4-chlorophenyl)-1-piperazinyl][trans-4-(1H-tetrazol-1-ylmethyl)cyclohexyl]- [ACD/Index Name]
[4-(4-Chloro-phenyl)-piperazin-1-yl]-(4-tetrazol-1-ylmethyl-cyclohexyl)-methanone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 617.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 327.0±34.3 °C
Index of Refraction: 1.693
Molar Refractivity: 106.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 54.08
ACD/KOC (pH 5.5): 605.14
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 54.17
ACD/KOC (pH 7.4): 606.27
Polar Surface Area: 67 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 57.8±7.0 dyne/cm
Molar Volume: 277.4±7.0 cm3

Click to predict properties on the Chemicalize site


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