ChemSpider 2D Image | N-Ethyl-5-iodo-6-isobutyl-2-(4-methylphenyl)-4-pyrimidinamine | C17H22IN3

N-Ethyl-5-iodo-6-isobutyl-2-(4-methylphenyl)-4-pyrimidinamine

  • Molecular FormulaC17H22IN3
  • Average mass395.281 Da
  • Monoisotopic mass395.085846 Da
  • ChemSpider ID35863718

More details:

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

4-Pyrimidinamine, N-ethyl-5-iodo-2-(4-methylphenyl)-6-(2-methylpropyl)- [ACD/Index Name]
N-Ethyl-5-iod-6-isobutyl-2-(4-methylphenyl)-4-pyrimidinamin [German] [ACD/IUPAC Name]
N-Ethyl-5-iodo-6-isobutyl-2-(4-methylphenyl)-4-pyrimidinamine [ACD/IUPAC Name]
N-Éthyl-5-iodo-6-isobutyl-2-(4-méthylphényl)-4-pyrimidinamine [French] [ACD/IUPAC 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: 390.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.0±3.0 kJ/mol
Flash Point: 190.1±27.9 °C
Index of Refraction: 1.611
Molar Refractivity: 97.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 5.10
ACD/BCF (pH 5.5): 4188.25
ACD/KOC (pH 5.5): 12653.15
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5409.63
ACD/KOC (pH 7.4): 16343.05
Polar Surface Area: 38 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 281.7±3.0 cm3

Click to predict properties on the Chemicalize site


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