ChemSpider 2D Image | (17beta)-N-Heptyl-2-methoxyestra-1(10),2,4-trien-17-amine | C26H41NO

(17β)-N-Heptyl-2-methoxyestra-1(10),2,4-trien-17-amine

  • Molecular FormulaC26H41NO
  • Average mass383.610 Da
  • Monoisotopic mass383.318817 Da
  • ChemSpider ID76785072
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(17β)-N-Heptyl-2-methoxyestra-1(10),2,4-trien-17-amin [German] [ACD/IUPAC Name]
(17β)-N-Heptyl-2-methoxyestra-1(10),2,4-trien-17-amine [ACD/IUPAC Name]
(17β)-N-Heptyl-2-méthoxyestra-1(10),2,4-trién-17-amine [French] [ACD/IUPAC Name]
Estra-1(10),2,4-trien-17-amine, N-heptyl-2-methoxy-, (17β)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 491.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 221.9±18.2 °C
Index of Refraction: 1.543
Molar Refractivity: 118.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 8.26
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 416.21
ACD/KOC (pH 5.5): 343.67
ACD/LogD (pH 7.4): 4.88
ACD/BCF (pH 7.4): 595.47
ACD/KOC (pH 7.4): 491.68
Polar Surface Area: 21 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 40.8±5.0 dyne/cm
Molar Volume: 375.8±5.0 cm3

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