Found 2 results

Search term: PXXLQQDIFVPNMP (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 3-{Bis[(~2~H_5_)ethyl]carbamoyl}benzoic acid | C12H5D10NO3

3-{Bis[(2H5)ethyl]carbamoyl}benzoic acid

  • Molecular FormulaC12H5D10NO3
  • Average mass231.314 Da
  • Monoisotopic mass231.167953 Da
  • ChemSpider ID58778527
  • Non-standard isotope - Non-standard isotope


More details:






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

3-{Bis[(2H5)ethyl]carbamoyl}benzoesäure [German] [ACD/IUPAC Name]
3-{Bis[(2H5)ethyl]carbamoyl}benzoic acid [ACD/IUPAC Name]
Acide 3-{bis[(2H5)éthyl]carbamoyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(diethyl-d5-amino)carbonyl]- [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: 418.9±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.9±3.0 kJ/mol
Flash Point: 207.2±24.0 °C
Index of Refraction: 1.552
Molar Refractivity: 60.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.83
ACD/LogD (pH 7.4): -1.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 190.3±3.0 cm3

Click to predict properties on the Chemicalize site






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