ChemSpider 2D Image | N~4~-(3-Methylphenyl)-N~2~-[4-(4-methyl-1-piperazinyl)phenyl]-2,4-pyrimidinediamine | C22H26N6

N4-(3-Methylphenyl)-N2-[4-(4-methyl-1-piperazinyl)phenyl]-2,4-pyrimidinediamine

  • Molecular FormulaC22H26N6
  • Average mass374.482 Da
  • Monoisotopic mass374.221893 Da
  • ChemSpider ID46893009

More details:

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

2,4-Pyrimidinediamine, N4-(3-methylphenyl)-N2-[4-(4-methyl-1-piperazinyl)phenyl]- [ACD/Index Name]
N4-(3-Methylphenyl)-N2-[4-(4-methyl-1-piperazinyl)phenyl]-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
N4-(3-Methylphenyl)-N2-[4-(4-methyl-1-piperazinyl)phenyl]-2,4-pyrimidinediamine [ACD/IUPAC Name]
N4-(3-Méthylphényl)-N2-[4-(4-méthyl-1-pipérazinyl)phényl]-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 596.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 314.3±32.9 °C
Index of Refraction: 1.667
Molar Refractivity: 114.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.72
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 100.07
ACD/KOC (pH 7.4): 683.44
Polar Surface Area: 56 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 307.6±3.0 cm3

Click to predict properties on the Chemicalize site


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