ChemSpider 2D Image | (4alpha,5alpha)-4-(Dimethylamino)androstane-3,17-dione | C21H33NO2

(4α,5α)-4-(Dimethylamino)androstane-3,17-dione

  • Molecular FormulaC21H33NO2
  • Average mass331.492 Da
  • Monoisotopic mass331.251129 Da
  • ChemSpider ID30653106

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4α,5α)-4-(Dimethylamino)androstan-3,17-dion [German] [ACD/IUPAC Name]
(4α,5α)-4-(Dimethylamino)androstane-3,17-dione [ACD/IUPAC Name]
(4α,5α)-4-(Diméthylamino)androstane-3,17-dione [French] [ACD/IUPAC Name]
Androstane-3,17-dione, 4-(dimethylamino)-, (4α,5α)- [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: 449.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 177.4±21.1 °C
Index of Refraction: 1.541
Molar Refractivity: 95.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 4.95
ACD/KOC (pH 5.5): 42.98
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 99.67
ACD/KOC (pH 7.4): 864.69
Polar Surface Area: 37 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 42.4±5.0 dyne/cm
Molar Volume: 302.8±5.0 cm3

Click to predict properties on the Chemicalize site


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