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

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

  • Molecular FormulaC12H24N4O3
  • Average mass272.344 Da
  • Monoisotopic mass272.184845 Da
  • ChemSpider ID67972134

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-(3-{(2R,3R)-3-[(2-Hydroxyethyl)(methyl)amino]-2-methyl-1-pyrrolidinyl}-3-oxopropyl)harnstoff [German] [ACD/IUPAC Name]
1-(3-{(2R,3R)-3-[(2-Hydroxyethyl)(methyl)amino]-2-methyl-1-pyrrolidinyl}-3-oxopropyl)urea [ACD/IUPAC Name]
1-(3-{(2R,3R)-3-[(2-Hydroxyéthyl)(méthyl)amino]-2-méthyl-1-pyrrolidinyl}-3-oxopropyl)urée [French] [ACD/IUPAC Name]
Urea, N-[3-[(2R,3R)-3-[(2-hydroxyethyl)methylamino]-2-methyl-1-pyrrolidinyl]-3-oxopropyl]- [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: 490.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.2±6.0 kJ/mol
Flash Point: 250.2±28.7 °C
Index of Refraction: 1.555
Molar Refractivity: 72.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.66
ACD/LogD (pH 5.5): -3.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.55
Polar Surface Area: 99 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 225.4±5.0 cm3

Click to predict properties on the Chemicalize site


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