ChemSpider 2D Image | N-(6-Ethoxy-4-pyrimidinyl)-2,2-difluoro-1,3-propanediamine | C9H14F2N4O

N-(6-Ethoxy-4-pyrimidinyl)-2,2-difluoro-1,3-propanediamine

  • Molecular FormulaC9H14F2N4O
  • Average mass232.230 Da
  • Monoisotopic mass232.113571 Da
  • ChemSpider ID43008805

More details:

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

1,3-Propanediamine, N1-(6-ethoxy-4-pyrimidinyl)-2,2-difluoro- [ACD/Index Name]
N-(6-Ethoxy-4-pyrimidinyl)-2,2-difluor-1,3-propandiamin [German] [ACD/IUPAC Name]
N-(6-Ethoxy-4-pyrimidinyl)-2,2-difluoro-1,3-propanediamine [ACD/IUPAC Name]
N-(6-Éthoxy-4-pyrimidinyl)-2,2-difluoro-1,3-propanediamine [French] [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: 407.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.9±3.0 kJ/mol
Flash Point: 200.0±28.7 °C
Index of Refraction: 1.527
Molar Refractivity: 56.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.10
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 3.04
ACD/KOC (pH 7.4): 72.45
Polar Surface Area: 73 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 183.5±3.0 cm3

Click to predict properties on the Chemicalize site


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