ChemSpider 2D Image | 4-[({2-[2-Hydroxy-3-(4-methyl-1-piperazinyl)propoxy]-4-methoxybenzyl}amino)methyl]-1,6-heptadien-4-ol | C24H39N3O4

4-[({2-[2-Hydroxy-3-(4-methyl-1-piperazinyl)propoxy]-4-methoxybenzyl}amino)methyl]-1,6-heptadien-4-ol

  • Molecular FormulaC24H39N3O4
  • Average mass433.584 Da
  • Monoisotopic mass433.294067 Da
  • ChemSpider ID22194814

More details:

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

1-Piperazineethanol, α-[[2-[[[2-hydroxy-2-(2-propen-1-yl)-4-penten-1-yl]amino]methyl]-5-methoxyphenoxy]methyl]-4-methyl- [ACD/Index Name]
4-[({2-[2-Hydroxy-3-(4-methyl-1-piperazinyl)propoxy]-4-methoxybenzyl}amino)methyl]-1,6-heptadien-4-ol [ACD/IUPAC Name]
4-[({2-[2-Hydroxy-3-(4-methyl-1-piperazinyl)propoxy]-4-methoxybenzyl}amino)methyl]-1,6-heptadien-4-ol [German] [ACD/IUPAC Name]
4-[({2-[2-Hydroxy-3-(4-méthyl-1-pipérazinyl)propoxy]-4-méthoxybenzyl}amino)méthyl]-1,6-heptadién-4-ol [French] [ACD/IUPAC 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: 581.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 305.4±30.1 °C
Index of Refraction: 1.542
Molar Refractivity: 125.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): -1.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 2.48
ACD/KOC (pH 7.4): 30.96
Polar Surface Area: 77 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 397.9±3.0 cm3

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