ChemSpider 2D Image | cis-3-(4-Cyclopropyl-5-{[4-(3,4-dimethylphenyl)-1-piperazinyl]methyl}-4H-1,2,4-triazol-3-yl)cyclobutanamine | C22H32N6

cis-3-(4-Cyclopropyl-5-{[4-(3,4-dimethylphenyl)-1-piperazinyl]methyl}-4H-1,2,4-triazol-3-yl)cyclobutanamine

  • Molecular FormulaC22H32N6
  • Average mass380.530 Da
  • Monoisotopic mass380.268860 Da
  • ChemSpider ID35066948

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

cis-3-(4-Cyclopropyl-5-{[4-(3,4-dimethylphenyl)-1-piperazinyl]methyl}-4H-1,2,4-triazol-3-yl)cyclobutanamin [German] [ACD/IUPAC Name]
cis-3-(4-Cyclopropyl-5-{[4-(3,4-dimethylphenyl)-1-piperazinyl]methyl}-4H-1,2,4-triazol-3-yl)cyclobutanamine [ACD/IUPAC Name]
cis-3-(4-Cyclopropyl-5-{[4-(3,4-diméthylphényl)-1-pipérazinyl]méthyl}-4H-1,2,4-triazol-3-yl)cyclobutanamine [French] [ACD/IUPAC Name]
Cyclobutanamine, 3-[4-cyclopropyl-5-[[4-(3,4-dimethylphenyl)-1-piperazinyl]methyl]-4H-1,2,4-triazol-3-yl]-, cis- [ACD/Index Name]
[cis-3-(4-cyclopropyl-5-{[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl}-4H-1,2,4-triazol-3-yl)cyclobutyl]amine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 613.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 324.8±34.3 °C
Index of Refraction: 1.718
Molar Refractivity: 110.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): -2.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 280.9±7.0 cm3

Click to predict properties on the Chemicalize site


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