ChemSpider 2D Image | 2-(3,5-Dimethylphenyl)-N-ethyl-5-iodo-6-propyl-4-pyrimidinamine | C17H22IN3

2-(3,5-Dimethylphenyl)-N-ethyl-5-iodo-6-propyl-4-pyrimidinamine

  • Molecular FormulaC17H22IN3
  • Average mass395.281 Da
  • Monoisotopic mass395.085846 Da
  • ChemSpider ID49370824

More details:

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

2-(3,5-Dimethylphenyl)-N-ethyl-5-iod-6-propyl-4-pyrimidinamin [German] [ACD/IUPAC Name]
2-(3,5-Dimethylphenyl)-N-ethyl-5-iodo-6-propyl-4-pyrimidinamine [ACD/IUPAC Name]
2-(3,5-Diméthylphényl)-N-éthyl-5-iodo-6-propyl-4-pyrimidinamine [French] [ACD/IUPAC Name]
4-Pyrimidinamine, 2-(3,5-dimethylphenyl)-N-ethyl-5-iodo-6-propyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 408.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.1±3.0 kJ/mol
Flash Point: 201.0±28.7 °C
Index of Refraction: 1.614
Molar Refractivity: 98.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.61
ACD/LogD (pH 5.5): 5.13
ACD/BCF (pH 5.5): 4490.49
ACD/KOC (pH 5.5): 13642.36
ACD/LogD (pH 7.4): 5.20
ACD/BCF (pH 7.4): 5311.55
ACD/KOC (pH 7.4): 16136.80
Polar Surface Area: 38 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 281.1±3.0 cm3

Click to predict properties on the Chemicalize site


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