ChemSpider 2D Image | (2S)-N-[(5-Bromo-2-furyl)methyl]-2-(hydroxymethyl)-1-pyrrolidinecarboxamide | C11H15BrN2O3

(2S)-N-[(5-Bromo-2-furyl)methyl]-2-(hydroxymethyl)-1-pyrrolidinecarboxamide

  • Molecular FormulaC11H15BrN2O3
  • Average mass303.152 Da
  • Monoisotopic mass302.026611 Da
  • ChemSpider ID35188037

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-N-[(5-Brom-2-furyl)methyl]-2-(hydroxymethyl)-1-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
(2S)-N-[(5-Bromo-2-furyl)methyl]-2-(hydroxymethyl)-1-pyrrolidinecarboxamide [ACD/IUPAC Name]
(2S)-N-[(5-Bromo-2-furyl)méthyl]-2-(hydroxyméthyl)-1-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxamide, N-[(5-bromo-2-furanyl)methyl]-2-(hydroxymethyl)-, (2S)- [ACD/Index Name]
(2S)-N-[(5-BROMOFURAN-2-YL)METHYL]-2-(HYDROXYMETHYL)PYRROLIDINE-1-CARBOXAMIDE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 514.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 264.9±27.3 °C
Index of Refraction: 1.576
Molar Refractivity: 65.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.75
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 5.23
ACD/KOC (pH 5.5): 113.75
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 5.23
ACD/KOC (pH 7.4): 113.75
Polar Surface Area: 66 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 198.1±3.0 cm3

Click to predict properties on the Chemicalize site


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