ChemSpider 2D Image | (2E)-3-(Dimethylamino)-1-[4-(3-methylbutoxy)phenyl]-2-propen-1-one | C16H23NO2

(2E)-3-(Dimethylamino)-1-[4-(3-methylbutoxy)phenyl]-2-propen-1-one

  • Molecular FormulaC16H23NO2
  • Average mass261.359 Da
  • Monoisotopic mass261.172882 Da
  • ChemSpider ID26457754
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-3-(Dimethylamino)-1-[4-(3-methylbutoxy)phenyl]-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-(Dimethylamino)-1-[4-(3-methylbutoxy)phenyl]-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-(Diméthylamino)-1-[4-(3-méthylbutoxy)phényl]-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-(dimethylamino)-1-[4-(3-methylbutoxy)phenyl]-, (2E)- [ACD/Index Name]
(2E)-3-(dimethylamino)-1-[4-(3-methylbutoxy)phenyl]prop-2-en-1-one
(2E)-3-(Dimethylamino)-1-[4-(3-methylbutoxy)-phenyl]prop-2-en-1-one
(E)-3-(dimethylamino)-1-[4-(3-methylbutoxy)phenyl]prop-2-en-1-one
(E)-3-(dimethylamino)-1-[4-(isopentyloxy)phenyl]-2-propen-1-one
1306753-49-0 [RN]
2-propen-1-one, 3-(dimethylamino)-1-[4-(3-methylbutoxy)phenyl], (2E)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 370.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.7±3.0 kJ/mol
Flash Point: 177.7±27.9 °C
Index of Refraction: 1.517
Molar Refractivity: 79.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 184.15
ACD/KOC (pH 5.5): 1283.36
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 284.76
ACD/KOC (pH 7.4): 1984.50
Polar Surface Area: 30 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 261.8±3.0 cm3

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