ChemSpider 2D Image | 1-[(2S)-1-{(2R,3R)-3-[(2-Hydroxyethyl)(methyl)amino]-2-methyl-1-pyrrolidinyl}-1-oxo-2-propanyl]urea | C12H24N4O3

1-[(2S)-1-{(2R,3R)-3-[(2-Hydroxyethyl)(methyl)amino]-2-methyl-1-pyrrolidinyl}-1-oxo-2-propanyl]urea

  • Molecular FormulaC12H24N4O3
  • Average mass272.344 Da
  • Monoisotopic mass272.184845 Da
  • ChemSpider ID68048526

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-[(2S)-1-{(2R,3R)-3-[(2-Hydroxyethyl)(methyl)amino]-2-methyl-1-pyrrolidinyl}-1-oxo-2-propanyl]harnstoff [German] [ACD/IUPAC Name]
1-[(2S)-1-{(2R,3R)-3-[(2-Hydroxyethyl)(methyl)amino]-2-methyl-1-pyrrolidinyl}-1-oxo-2-propanyl]urea [ACD/IUPAC Name]
1-[(2S)-1-{(2R,3R)-3-[(2-Hydroxyéthyl)(méthyl)amino]-2-méthyl-1-pyrrolidinyl}-1-oxo-2-propanyl]urée [French] [ACD/IUPAC Name]
Urea, N-[(1S)-2-[(2R,3R)-3-[(2-hydroxyethyl)methylamino]-2-methyl-1-pyrrolidinyl]-1-methyl-2-oxoethyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 474.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.0±6.0 kJ/mol
Flash Point: 240.7±28.7 °C
Index of Refraction: 1.553
Molar Refractivity: 72.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.48
ACD/LogD (pH 5.5): -3.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.04
Polar Surface Area: 99 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 226.0±5.0 cm3

Click to predict properties on the Chemicalize site


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