ChemSpider 2D Image | 5-[3-(3-Methoxy-4-biphenylyl)-1-butyn-1-yl]-6-methyl-2,4-pyrimidinediamine | C22H22N4O

5-[3-(3-Methoxy-4-biphenylyl)-1-butyn-1-yl]-6-methyl-2,4-pyrimidinediamine

  • Molecular FormulaC22H22N4O
  • Average mass358.436 Da
  • Monoisotopic mass358.179352 Da
  • ChemSpider ID26363394

More details:






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

2,4-Pyrimidinediamine, 5-[3-(3-methoxy[1,1'-biphenyl]-4-yl)-1-butyn-1-yl]-6-methyl- [ACD/Index Name]
5-[3-(3-Methoxy-4-biphenylyl)-1-butin-1-yl]-6-methyl-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
5-[3-(3-Methoxy-4-biphenylyl)-1-butyn-1-yl]-6-methyl-2,4-pyrimidinediamine [ACD/IUPAC Name]
5-[3-(3-Méthoxy-4-biphénylyl)-1-butyn-1-yl]-6-méthyl-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 627.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 333.4±34.3 °C
Index of Refraction: 1.660
Molar Refractivity: 106.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 36.86
ACD/KOC (pH 5.5): 212.06
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 473.76
ACD/KOC (pH 7.4): 2725.83
Polar Surface Area: 87 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 68.2±5.0 dyne/cm
Molar Volume: 288.5±5.0 cm3

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