ChemSpider 2D Image | 1-Butoxy-3-{4-[5-(2,5-dimethylbenzyl)-6-methyl-2-phenyl-4-pyrimidinyl]-1-piperazinyl}-2-propanol | C31H42N4O2

1-Butoxy-3-{4-[5-(2,5-dimethylbenzyl)-6-methyl-2-phenyl-4-pyrimidinyl]-1-piperazinyl}-2-propanol

  • Molecular FormulaC31H42N4O2
  • Average mass502.691 Da
  • Monoisotopic mass502.330780 Da
  • ChemSpider ID22697601

More details:

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

1-Butoxy-3-{4-[5-(2,5-dimethylbenzyl)-6-methyl-2-phenyl-4-pyrimidinyl]-1-piperazinyl}-2-propanol [ACD/IUPAC Name]
1-Butoxy-3-{4-[5-(2,5-dimethylbenzyl)-6-methyl-2-phenyl-4-pyrimidinyl]-1-piperazinyl}-2-propanol [German] [ACD/IUPAC Name]
1-Butoxy-3-{4-[5-(2,5-diméthylbenzyl)-6-méthyl-2-phényl-4-pyrimidinyl]-1-pipérazinyl}-2-propanol [French] [ACD/IUPAC Name]
1-Piperazineethanol, α-(butoxymethyl)-4-[5-[(2,5-dimethylphenyl)methyl]-6-methyl-2-phenyl-4-pyrimidinyl]- [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: 608.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 321.8±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 150.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.86
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 16.24
ACD/KOC (pH 5.5): 33.70
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 4381.55
ACD/KOC (pH 7.4): 9090.48
Polar Surface Area: 62 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 457.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement