ChemSpider 2D Image | 6-(Benzyloxy)-N~4~-dodecyl-5-nitroso-2,4-pyrimidinediamine | C23H35N5O2

6-(Benzyloxy)-N4-dodecyl-5-nitroso-2,4-pyrimidinediamine

  • Molecular FormulaC23H35N5O2
  • Average mass413.556 Da
  • Monoisotopic mass413.279083 Da
  • ChemSpider ID21140342

More details:

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

2,4-Pyrimidinediamine, N4-dodecyl-5-nitroso-6-(phenylmethoxy)- [ACD/Index Name]
6-(Benzyloxy)-N4-dodecyl-5-nitroso-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
6-(Benzyloxy)-N4-dodecyl-5-nitroso-2,4-pyrimidinediamine [ACD/IUPAC Name]
6-(Benzyloxy)-N4-dodécyl-5-nitroso-2,4-pyrimidinediamine [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: 497.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.6±3.0 kJ/mol
Flash Point: 254.9±31.5 °C
Index of Refraction: 1.571
Molar Refractivity: 119.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 7.21
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 470.46
ACD/KOC (pH 5.5): 775.16
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 1504.13
ACD/KOC (pH 7.4): 2478.32
Polar Surface Area: 99 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 43.7±7.0 dyne/cm
Molar Volume: 364.1±7.0 cm3

Click to predict properties on the Chemicalize site


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