ChemSpider 2D Image | N'-{2-Benzyl-6-[4-(2,2-dimethylpropyl)-1-piperazinyl]-4-pyrimidinyl}-N,N-dimethyl-1,4-benzenediamine | C28H38N6

N'-{2-Benzyl-6-[4-(2,2-dimethylpropyl)-1-piperazinyl]-4-pyrimidinyl}-N,N-dimethyl-1,4-benzenediamine

  • Molecular FormulaC28H38N6
  • Average mass458.642 Da
  • Monoisotopic mass458.315796 Da
  • ChemSpider ID121378991

More details:

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

1,4-Benzenediamine, N4-[6-[4-(2,2-dimethylpropyl)-1-piperazinyl]-2-(phenylmethyl)-4-pyrimidinyl]-N1,N1-dimethyl- [ACD/Index Name]
N'-{2-Benzyl-6-[4-(2,2-dimethylpropyl)-1-piperazinyl]-4-pyrimidinyl}-N,N-dimethyl-1,4-benzenediamine [ACD/IUPAC Name]
N'-{2-Benzyl-6-[4-(2,2-diméthylpropyl)-1-pipérazinyl]-4-pyrimidinyl}-N,N-diméthyl-1,4-benzènediamine [French] [ACD/IUPAC Name]
N'-{2-Benzyl-6-[4-(2,2-dimethylpropyl)-1-piperazinyl]-4-pyrimidinyl}-N,N-dimethyl-1,4-benzoldiamin [German] [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: 624.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 331.6±31.5 °C
Index of Refraction: 1.612
Molar Refractivity: 142.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.46
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.71
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 860.29
ACD/KOC (pH 7.4): 2343.56
Polar Surface Area: 48 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 409.8±3.0 cm3

Click to predict properties on the Chemicalize site


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