ChemSpider 2D Image | N,N'-Bis{[5-(4-chlorophenyl)-2-furyl]methyl}-5-nitro-4,6-pyrimidinediamine | C26H19Cl2N5O4

N,N'-Bis{[5-(4-chlorophenyl)-2-furyl]methyl}-5-nitro-4,6-pyrimidinediamine

  • Molecular FormulaC26H19Cl2N5O4
  • Average mass536.366 Da
  • Monoisotopic mass535.081421 Da
  • ChemSpider ID22366782

More details:

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

4,6-Pyrimidinediamine, N4,N6-bis[[5-(4-chlorophenyl)-2-furanyl]methyl]-5-nitro- [ACD/Index Name]
N,N'-Bis{[5-(4-chlorophenyl)-2-furyl]methyl}-5-nitro-4,6-pyrimidinediamine [ACD/IUPAC Name]
N,N'-Bis{[5-(4-chlorophényl)-2-furyl]méthyl}-5-nitro-4,6-pyrimidinediamine [French] [ACD/IUPAC Name]
N,N'-Bis{[5-(4-chlorphenyl)-2-furyl]methyl}-5-nitro-4,6-pyrimidindiamin [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 712.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 384.6±32.9 °C
Index of Refraction: 1.690
Molar Refractivity: 140.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 9.97
ACD/LogD (pH 5.5): 7.72
ACD/BCF (pH 5.5): 429855.72
ACD/KOC (pH 5.5): 374825.94
ACD/LogD (pH 7.4): 7.72
ACD/BCF (pH 7.4): 430113.97
ACD/KOC (pH 7.4): 375051.13
Polar Surface Area: 122 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 63.6±3.0 dyne/cm
Molar Volume: 368.1±3.0 cm3

Click to predict properties on the Chemicalize site


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