ChemSpider 2D Image | 1-(Diethylamino)-3-[2-methoxy-5-({methyl[2-(tetrahydro-2H-pyran-4-yl)ethyl]amino}methyl)phenoxy]-2-propanol | C23H40N2O4

1-(Diethylamino)-3-[2-methoxy-5-({methyl[2-(tetrahydro-2H-pyran-4-yl)ethyl]amino}methyl)phenoxy]-2-propanol

  • Molecular FormulaC23H40N2O4
  • Average mass408.575 Da
  • Monoisotopic mass408.298798 Da
  • ChemSpider ID22248459

More details:

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

1-(Diethylamino)-3-[2-methoxy-5-({methyl[2-(tetrahydro-2H-pyran-4-yl)ethyl]amino}methyl)phenoxy]-2-propanol [ACD/IUPAC Name]
1-(Diethylamino)-3-[2-methoxy-5-({methyl[2-(tetrahydro-2H-pyran-4-yl)ethyl]amino}methyl)phenoxy]-2-propanol [German] [ACD/IUPAC Name]
1-(Diéthylamino)-3-[2-méthoxy-5-({méthyl[2-(tétrahydro-2H-pyran-4-yl)éthyl]amino}méthyl)phénoxy]-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-(diethylamino)-3-[2-methoxy-5-[[methyl[2-(tetrahydro-2H-pyran-4-yl)ethyl]amino]methyl]phenoxy]- [ACD/Index Name]
1-(DIETHYLAMINO)-3-[2-METHOXY-5-({METHYL[2-(OXAN-4-YL)ETHYL]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: 532.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 275.7±30.1 °C
Index of Refraction: 1.519
Molar Refractivity: 117.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): -1.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 388.2±3.0 cm3

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