ChemSpider 2D Image | 1-(4-Ethyl-1-piperazinyl)-3-[2-methoxy-4-({methyl[(3-methyl-4-pyridinyl)methyl]amino}methyl)phenoxy]-2-propanol | C25H38N4O3

1-(4-Ethyl-1-piperazinyl)-3-[2-methoxy-4-({methyl[(3-methyl-4-pyridinyl)methyl]amino}methyl)phenoxy]-2-propanol

  • Molecular FormulaC25H38N4O3
  • Average mass442.594 Da
  • Monoisotopic mass442.294403 Da
  • ChemSpider ID22239219

More details:

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

1-(4-Ethyl-1-piperazinyl)-3-[2-methoxy-4-({methyl[(3-methyl-4-pyridinyl)methyl]amino}methyl)phenoxy]-2-propanol [ACD/IUPAC Name]
1-(4-Ethyl-1-piperazinyl)-3-[2-methoxy-4-({methyl[(3-methyl-4-pyridinyl)methyl]amino}methyl)phenoxy]-2-propanol [German] [ACD/IUPAC Name]
1-(4-Éthyl-1-pipérazinyl)-3-[2-méthoxy-4-({méthyl[(3-méthyl-4-pyridinyl)méthyl]amino}méthyl)phénoxy]-2-propanol [French] [ACD/IUPAC Name]
1-Piperazineethanol, 4-ethyl-α-[[2-methoxy-4-[[methyl[(3-methyl-4-pyridinyl)methyl]amino]methyl]phenoxy]methyl]- [ACD/Index Name]
1-(4-ETHYLPIPERAZIN-1-YL)-3-[2-METHOXY-4-({METHYL[(3-METHYLPYRIDIN-4-YL)METHYL]AMINO}METHYL)PHENOXY]PROPAN-2-OL

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

Density: 1.1±0.1 g/cm3
Boiling Point: 599.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 316.2±30.1 °C
Index of Refraction: 1.561
Molar Refractivity: 128.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): -1.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 4.75
ACD/KOC (pH 7.4): 69.66
Polar Surface Area: 61 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 397.3±3.0 cm3

Click to predict properties on the Chemicalize site


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