ChemSpider 2D Image | 5-[3-(2,5-Dimethoxy-4-biphenylyl)-1-butyn-1-yl]-6-methyl-2,4-pyrimidinediamine | C23H24N4O2

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

  • Molecular FormulaC23H24N4O2
  • Average mass388.462 Da
  • Monoisotopic mass388.189911 Da
  • ChemSpider ID26363780

More details:

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

2,4-Pyrimidinediamine, 5-[3-(2,5-dimethoxy[1,1'-biphenyl]-4-yl)-1-butyn-1-yl]-6-methyl- [ACD/Index Name]
5-[3-(2,5-Dimethoxy-4-biphenylyl)-1-butin-1-yl]-6-methyl-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
5-[3-(2,5-Dimethoxy-4-biphenylyl)-1-butyn-1-yl]-6-methyl-2,4-pyrimidinediamine [ACD/IUPAC Name]
5-[3-(2,5-Diméthoxy-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, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 628.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 334.0±34.3 °C
Index of Refraction: 1.648
Molar Refractivity: 112.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 45.11
ACD/KOC (pH 5.5): 247.26
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 564.96
ACD/KOC (pH 7.4): 3096.75
Polar Surface Area: 96 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 67.0±5.0 dyne/cm
Molar Volume: 310.2±5.0 cm3

Click to predict properties on the Chemicalize site


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