ChemSpider 2D Image | {3-[3-(1,4-Diazepan-1-yl)-1-propyn-1-yl]-1,2-oxazol-5-yl}boronic acid | C11H16BN3O3

{3-[3-(1,4-Diazepan-1-yl)-1-propyn-1-yl]-1,2-oxazol-5-yl}boronic acid

  • Molecular FormulaC11H16BN3O3
  • Average mass249.074 Da
  • Monoisotopic mass249.128479 Da
  • ChemSpider ID81498488

More details:

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

{3-[3-(1,4-Diazepan-1-yl)-1-propin-1-yl]-1,2-oxazol-5-yl}borsäure [German] [ACD/IUPAC Name]
{3-[3-(1,4-Diazepan-1-yl)-1-propyn-1-yl]-1,2-oxazol-5-yl}boronic acid [ACD/IUPAC Name]
Acide {3-[3-(1,4-diazépan-1-yl)-1-propyn-1-yl]-1,2-oxazol-5-yl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-[3-(hexahydro-1H-1,4-diazepin-1-yl)-1-propyn-1-yl]-5-isoxazolyl]- [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: 498.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 255.4±31.5 °C
Index of Refraction: 1.583
Molar Refractivity: 64.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.65
ACD/LogD (pH 5.5): -2.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 82 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 64.5±5.0 dyne/cm
Molar Volume: 191.9±5.0 cm3

Click to predict properties on the Chemicalize site


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