ChemSpider 2D Image | 4-[(2R)-2-Hydroxy-3-(isopropylamino)propoxy]-2H-benzimidazol-2-one | C13H17N3O3

4-[(2R)-2-Hydroxy-3-(isopropylamino)propoxy]-2H-benzimidazol-2-one

  • Molecular FormulaC13H17N3O3
  • Average mass263.292 Da
  • Monoisotopic mass263.126984 Da
  • ChemSpider ID88297298

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2H-Benzimidazol-2-one, 4-[(2R)-2-hydroxy-3-[(1-methylethyl)amino]propoxy]- [ACD/Index Name]
4-[(2R)-2-Hydroxy-3-(isopropylamino)propoxy]-2H-benzimidazol-2-on [German] [ACD/IUPAC Name]
4-[(2R)-2-Hydroxy-3-(isopropylamino)propoxy]-2H-benzimidazol-2-one [ACD/IUPAC Name]
4-[(2R)-2-Hydroxy-3-(isopropylamino)propoxy]-2H-benzimidazol-2-one [French] [ACD/IUPAC Name]
108929-47-1 [RN]

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

Cgp 12388 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 472.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 84.7±6.0 kJ/mol
Flash Point: 239.3±31.5 °C
Index of Refraction: 1.615
Molar Refractivity: 69.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.82
ACD/LogD (pH 5.5): -2.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 47.8±7.0 dyne/cm
Molar Volume: 198.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement