ChemSpider 2D Image | [5-({[1-(1H-Imidazol-1-yl)-2-propanyl]amino}methyl)-2-furyl]boronic acid | C11H16BN3O3

[5-({[1-(1H-Imidazol-1-yl)-2-propanyl]amino}methyl)-2-furyl]boronic acid

  • Molecular FormulaC11H16BN3O3
  • Average mass249.074 Da
  • Monoisotopic mass249.128479 Da
  • ChemSpider ID72926566

More details:

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

[5-({[1-(1H-Imidazol-1-yl)-2-propanyl]amino}methyl)-2-furyl]boronic acid [ACD/IUPAC Name]
[5-({[1-(1H-Imidazol-1-yl)-2-propanyl]amino}methyl)-2-furyl]borsäure [German] [ACD/IUPAC Name]
Acide [5-({[1-(1H-imidazol-1-yl)-2-propanyl]amino}méthyl)-2-furyl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[5-[[[2-(1H-imidazol-1-yl)-1-methylethyl]amino]methyl]-2-furanyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 508.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 261.1±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 65.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.38
ACD/LogD (pH 5.5): -2.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.10
Polar Surface Area: 83 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 46.9±7.0 dyne/cm
Molar Volume: 198.1±7.0 cm3

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