ChemSpider 2D Image | 1,1-Diethyl-3-[(5alpha,8alpha)-6-propylergolin-8-yl]urea | C22H32N4O

1,1-Diethyl-3-[(5α,8α)-6-propylergolin-8-yl]urea

  • Molecular FormulaC22H32N4O
  • Average mass368.516 Da
  • Monoisotopic mass368.257599 Da
  • ChemSpider ID25996904

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1,1-Diethyl-3-[(5α,8α)-6-propylergolin-8-yl]harnstoff [German] [ACD/IUPAC Name]
1,1-Diethyl-3-[(5α,8α)-6-propylergolin-8-yl]urea [ACD/IUPAC Name]
1,1-Diéthyl-3-[(5α,8α)-6-propylergolin-8-yl]urée [French] [ACD/IUPAC Name]
Urea, N,N-diethyl-N'-[(5α,8α)-6-propylergolin-8-yl]- [ACD/Index Name]
PROTERGURIDE [INN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 602.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.4±31.5 °C
Index of Refraction: 1.623
Molar Refractivity: 110.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 1.23
ACD/KOC (pH 5.5): 6.68
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 50.81
ACD/KOC (pH 7.4): 275.44
Polar Surface Area: 51 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 313.3±5.0 cm3

Click to predict properties on the Chemicalize site


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