ChemSpider 2D Image | 3-[(1S)-3-(Diisopropylamino)-1-phenylpropyl]-4-hydroxybenzaldehyde | C22H29NO2

3-[(1S)-3-(Diisopropylamino)-1-phenylpropyl]-4-hydroxybenzaldehyde

  • Molecular FormulaC22H29NO2
  • Average mass339.471 Da
  • Monoisotopic mass339.219818 Da
  • ChemSpider ID32808516

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-[(1S)-3-(Diisopropylamino)-1-phenylpropyl]-4-hydroxybenzaldehyd [German] [ACD/IUPAC Name]
3-[(1S)-3-(Diisopropylamino)-1-phenylpropyl]-4-hydroxybenzaldehyde [ACD/IUPAC Name]
3-[(1S)-3-(Diisopropylamino)-1-phénylpropyl]-4-hydroxybenzaldéhyde [French] [ACD/IUPAC Name]
Benzaldehyde, 3-[(1S)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxy- [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: 470.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 238.5±28.7 °C
Index of Refraction: 1.570
Molar Refractivity: 104.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 3.12
ACD/KOC (pH 5.5): 10.41
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 7.81
ACD/KOC (pH 7.4): 26.10
Polar Surface Area: 41 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 319.7±3.0 cm3

Click to predict properties on the Chemicalize site


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