ChemSpider 2D Image | (1Z)-4-[(Dimethylamino)methyl]-1-(3-hydroxyphenyl)-1-nonen-3-one | C18H27NO2

(1Z)-4-[(Dimethylamino)methyl]-1-(3-hydroxyphenyl)-1-nonen-3-one

  • Molecular FormulaC18H27NO2
  • Average mass289.413 Da
  • Monoisotopic mass289.204193 Da
  • ChemSpider ID95568320
  • Double-bond stereo - Double-bond stereo


More details:






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

(1Z)-4-[(Dimethylamino)methyl]-1-(3-hydroxyphenyl)-1-nonen-3-on [German] [ACD/IUPAC Name]
(1Z)-4-[(Dimethylamino)methyl]-1-(3-hydroxyphenyl)-1-nonen-3-one [ACD/IUPAC Name]
(1Z)-4-[(Diméthylamino)méthyl]-1-(3-hydroxyphényl)-1-nonén-3-one [French] [ACD/IUPAC Name]
1-Nonen-3-one, 4-[(dimethylamino)methyl]-1-(3-hydroxyphenyl)-, (1Z)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 438.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 219.1±25.9 °C
Index of Refraction: 1.547
Molar Refractivity: 89.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 1.86
ACD/KOC (pH 5.5): 8.17
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 54.99
ACD/KOC (pH 7.4): 242.04
Polar Surface Area: 41 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 282.1±3.0 cm3

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