ChemSpider 2D Image | 2-(6-Acetyl-1H-benzimidazol-2-yl)-2-aminoethyl dihydrogen phosphate | C11H14N3O5P

2-(6-Acetyl-1H-benzimidazol-2-yl)-2-aminoethyl dihydrogen phosphate

  • Molecular FormulaC11H14N3O5P
  • Average mass299.220 Da
  • Monoisotopic mass299.067108 Da
  • ChemSpider ID101484243

More details:

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

2-(6-Acetyl-1H-benzimidazol-2-yl)-2-aminoethyl dihydrogen phosphate [ACD/IUPAC Name]
2-(6-Acetyl-1H-benzimidazol-2-yl)-2-aminoethyldihydrogenphosphat [German] [ACD/IUPAC Name]
Dihydrogénophosphate de 2-(6-acétyl-1H-benzimidazol-2-yl)-2-aminoéthyle [French] [ACD/IUPAC Name]
Ethanone, 1-[2-[1-amino-2-(phosphonooxy)ethyl]-1H-benzimidazol-6-yl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 646.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 344.6±34.3 °C
Index of Refraction: 1.678
Molar Refractivity: 71.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.74
ACD/LogD (pH 5.5): -4.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 148 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 87.7±3.0 dyne/cm
Molar Volume: 189.4±3.0 cm3

Click to predict properties on the Chemicalize site


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