ChemSpider 2D Image | Methyl {1-[(5-bromo-2-furyl)methyl]-4-piperidinyl}(hydroxy)acetate | C13H18BrNO4

Methyl {1-[(5-bromo-2-furyl)methyl]-4-piperidinyl}(hydroxy)acetate

  • Molecular FormulaC13H18BrNO4
  • Average mass332.190 Da
  • Monoisotopic mass331.041901 Da
  • ChemSpider ID35196269

More details:

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

{1-[(5-Bromo-2-furyl)méthyl]-4-pipéridinyl}(hydroxy)acétate de méthyle [French] [ACD/IUPAC Name]
4-Piperidineacetic acid, 1-[(5-bromo-2-furanyl)methyl]-α-hydroxy-, methyl ester [ACD/Index Name]
Methyl {1-[(5-bromo-2-furyl)methyl]-4-piperidinyl}(hydroxy)acetate [ACD/IUPAC Name]
Methyl-{1-[(5-brom-2-furyl)methyl]-4-piperidinyl}(hydroxy)acetat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 392.3±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.7±3.0 kJ/mol
Flash Point: 191.1±25.1 °C
Index of Refraction: 1.553
Molar Refractivity: 73.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.95
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 5.80
ACD/KOC (pH 7.4): 90.91
Polar Surface Area: 63 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 227.9±3.0 cm3

Click to predict properties on the Chemicalize site


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