ChemSpider 2D Image | (2E)-3-[(3-Hydroxypropyl)amino]-1-phenyl-2-buten-1-one | C13H17NO2

(2E)-3-[(3-Hydroxypropyl)amino]-1-phenyl-2-buten-1-one

  • Molecular FormulaC13H17NO2
  • Average mass219.280 Da
  • Monoisotopic mass219.125931 Da
  • ChemSpider ID30655689

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[(3-Hydroxypropyl)amino]-1-phenyl-2-buten-1-on [German] [ACD/IUPAC Name]
(2E)-3-[(3-Hydroxypropyl)amino]-1-phenyl-2-buten-1-one [ACD/IUPAC Name]
(2E)-3-[(3-Hydroxypropyl)amino]-1-phényl-2-butén-1-one [French] [ACD/IUPAC Name]
2-Buten-1-one, 3-[(3-hydroxypropyl)amino]-1-phenyl-, (2E)- [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: 381.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.5±3.0 kJ/mol
Flash Point: 184.8±27.9 °C
Index of Refraction: 1.547
Molar Refractivity: 64.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 4.49
ACD/KOC (pH 5.5): 87.77
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 7.56
ACD/KOC (pH 7.4): 147.68
Polar Surface Area: 49 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 203.2±3.0 cm3

Click to predict properties on the Chemicalize site


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