ChemSpider 2D Image | N-(4-Nitrobenzyl)-1,2-benzenediamine | C13H13N3O2

N-(4-Nitrobenzyl)-1,2-benzenediamine

  • Molecular FormulaC13H13N3O2
  • Average mass243.261 Da
  • Monoisotopic mass243.100784 Da
  • ChemSpider ID21125961

More details:

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

1,2-Benzenediamine, N1-[(4-nitrophenyl)methyl]- [ACD/Index Name]
N-(4-Nitrobenzyl)-1,2-benzenediamine [ACD/IUPAC Name]
N-(4-Nitrobenzyl)-1,2-benzènediamine [French] [ACD/IUPAC Name]
N-(4-Nitrobenzyl)-1,2-benzoldiamin [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 451.5±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 226.9±24.6 °C
Index of Refraction: 1.702
Molar Refractivity: 71.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 25.69
ACD/KOC (pH 5.5): 336.10
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 31.19
ACD/KOC (pH 7.4): 408.08
Polar Surface Area: 84 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 64.0±3.0 dyne/cm
Molar Volume: 183.7±3.0 cm3

Click to predict properties on the Chemicalize site


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