ChemSpider 2D Image | 1-(1-{6-[(3,5-Diisopropylphenyl)amino]-2-(2-methyl-2-propanyl)-4-pyrimidinyl}-3-piperidinyl)-4-phenyl-1-butanone | C35H48N4O

1-(1-{6-[(3,5-Diisopropylphenyl)amino]-2-(2-methyl-2-propanyl)-4-pyrimidinyl}-3-piperidinyl)-4-phenyl-1-butanone

  • Molecular FormulaC35H48N4O
  • Average mass540.782 Da
  • Monoisotopic mass540.382813 Da
  • ChemSpider ID121418083

More details:

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

1-(1-{6-[(3,5-Diisopropylphenyl)amino]-2-(2-methyl-2-propanyl)-4-pyrimidinyl}-3-piperidinyl)-4-phenyl-1-butanon [German] [ACD/IUPAC Name]
1-(1-{6-[(3,5-Diisopropylphenyl)amino]-2-(2-methyl-2-propanyl)-4-pyrimidinyl}-3-piperidinyl)-4-phenyl-1-butanone [ACD/IUPAC Name]
1-(1-{6-[(3,5-Diisopropylphényl)amino]-2-(2-méthyl-2-propanyl)-4-pyrimidinyl}-3-pipéridinyl)-4-phényl-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 1-[1-[6-[[3,5-bis(1-methylethyl)phenyl]amino]-2-(1,1-dimethylethyl)-4-pyrimidinyl]-3-piperidinyl]-4-phenyl- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 655.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 350.1±31.5 °C
Index of Refraction: 1.571
Molar Refractivity: 166.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 8.37
ACD/LogD (pH 5.5): 5.72
ACD/BCF (pH 5.5): 3978.75
ACD/KOC (pH 5.5): 3199.74
ACD/LogD (pH 7.4): 7.25
ACD/BCF (pH 7.4): 134571.77
ACD/KOC (pH 7.4): 108223.67
Polar Surface Area: 58 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 506.0±3.0 cm3

Click to predict properties on the Chemicalize site


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