ChemSpider 2D Image | (8alpha,9beta,10alpha,13alpha,14beta,17alpha)-3-Oxoestr-4-en-17-yl (2-chloroethyl)nitrosocarbamate | C21H29ClN2O4

(8α,9β,10α,13α,14β,17α)-3-Oxoestr-4-en-17-yl (2-chloroethyl)nitrosocarbamate

  • Molecular FormulaC21H29ClN2O4
  • Average mass408.919 Da
  • Monoisotopic mass408.181580 Da
  • ChemSpider ID62512268

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2-Chloroéthyl)nitrosocarbamate de (8α,9β,10α,13α,14β,17α)-3-oxoestr-4-én-17-yle [French] [ACD/IUPAC Name]
(8α,9β,10α,13α,14β,17α)-3-Oxoestr-4-en-17-yl (2-chloroethyl)nitrosocarbamate [ACD/IUPAC Name]
(8α,9β,10α,13α,14β,17α)-3-Oxoestr-4-en-17-yl-(2-chlorethyl)nitrosocarbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-(2-chloroethyl)-N-nitroso-, (8α,9β,10α,13α,14β,17α)-3-oxoestr-4-en-17-yl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 529.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 274.0±32.9 °C
Index of Refraction: 1.661
Molar Refractivity: 105.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 627.49
ACD/KOC (pH 5.5): 3500.49
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 627.49
ACD/KOC (pH 7.4): 3500.49
Polar Surface Area: 76 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 54.6±7.0 dyne/cm
Molar Volume: 284.1±7.0 cm3

Click to predict properties on the Chemicalize site


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