ChemSpider 2D Image | N-{cis-4-[2-(4-Phenyl-1-piperazinyl)ethyl]cyclohexyl}-2-pyrimidinamine | C22H31N5

N-{cis-4-[2-(4-Phenyl-1-piperazinyl)ethyl]cyclohexyl}-2-pyrimidinamine

  • Molecular FormulaC22H31N5
  • Average mass365.515 Da
  • Monoisotopic mass365.257935 Da
  • ChemSpider ID31126057

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Pyrimidinamine, N-[cis-4-[2-(4-phenyl-1-piperazinyl)ethyl]cyclohexyl]- [ACD/Index Name]
N-{cis-4-[2-(4-Phenyl-1-piperazinyl)ethyl]cyclohexyl}-2-pyrimidinamin [German] [ACD/IUPAC Name]
N-{cis-4-[2-(4-Phenyl-1-piperazinyl)ethyl]cyclohexyl}-2-pyrimidinamine [ACD/IUPAC Name]
N-{cis-4-[2-(4-Phényl-1-pipérazinyl)éthyl]cyclohexyl}-2-pyrimidinamine [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 542.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 282.0±32.9 °C
Index of Refraction: 1.597
Molar Refractivity: 110.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 3.80
ACD/KOC (pH 5.5): 23.84
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 167.22
ACD/KOC (pH 7.4): 1049.92
Polar Surface Area: 44 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 324.2±3.0 cm3

Click to predict properties on the Chemicalize site


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