ChemSpider 2D Image | 2-(Benzyl{6-[4-(3-methylbenzyl)-1-piperazinyl]-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}amino)ethanol | C35H43N5O

2-(Benzyl{6-[4-(3-methylbenzyl)-1-piperazinyl]-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}amino)ethanol

  • Molecular FormulaC35H43N5O
  • Average mass549.749 Da
  • Monoisotopic mass549.346741 Da
  • ChemSpider ID121221222

More details:

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

2-(Benzyl{6-[4-(3-methylbenzyl)-1-piperazinyl]-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}amino)ethanol [German] [ACD/IUPAC Name]
2-(Benzyl{6-[4-(3-methylbenzyl)-1-piperazinyl]-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}amino)ethanol [ACD/IUPAC Name]
2-(Benzyl{6-[4-(3-méthylbenzyl)-1-pipérazinyl]-2-[4-(2-méthyl-2-propanyl)phényl]-4-pyrimidinyl}amino)éthanol [French] [ACD/IUPAC Name]
Ethanol, 2-[[2-[4-(1,1-dimethylethyl)phenyl]-6-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-4-pyrimidinyl](phenylmethyl)amino]- [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: 662.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 354.5±31.5 °C
Index of Refraction: 1.620
Molar Refractivity: 168.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.03
ACD/LogD (pH 5.5): 4.62
ACD/BCF (pH 5.5): 729.92
ACD/KOC (pH 5.5): 1238.47
ACD/LogD (pH 7.4): 6.24
ACD/BCF (pH 7.4): 30162.44
ACD/KOC (pH 7.4): 51177.07
Polar Surface Area: 56 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 478.5±3.0 cm3

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