ChemSpider 2D Image | 3-Amino-3-hydroxyestra-1(10),4-dien-17-one | C18H25NO2

3-Amino-3-hydroxyestra-1(10),4-dien-17-one

  • Molecular FormulaC18H25NO2
  • Average mass287.397 Da
  • Monoisotopic mass287.188538 Da
  • ChemSpider ID26993818

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

3-Amino-3-hydroxyestra-1(10),4-dien-17-on [German] [ACD/IUPAC Name]
3-Amino-3-hydroxyestra-1(10),4-dien-17-one [ACD/IUPAC Name]
3-Amino-3-hydroxyestra-1(10),4-dién-17-one [French] [ACD/IUPAC Name]
Estra-1(10),4-dien-17-one, 3-amino-3-hydroxy- [ACD/Index Name]
3-aminoestrone

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 486.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.7±6.0 kJ/mol
Flash Point: 248.1±28.7 °C
Index of Refraction: 1.607
Molar Refractivity: 81.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.43
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): 0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.51
Polar Surface Area: 63 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 236.9±5.0 cm3

Click to predict properties on the Chemicalize site


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