ChemSpider 2D Image | (S)-BUNITROLOL | C14H20N2O2

(S)-BUNITROLOL

  • Molecular FormulaC14H20N2O2
  • Average mass248.321 Da
  • Monoisotopic mass248.152481 Da
  • ChemSpider ID32698023

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-BUNITROLOL
2-{(2S)-2-Hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}benzonitril [German] [ACD/IUPAC Name]
2-{(2S)-2-Hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}benzonitrile [ACD/IUPAC Name]
2-{(2S)-2-Hydroxy-3-[(2-méthyl-2-propanyl)amino]propoxy}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-[(2S)-3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]- [ACD/Index Name]
34915-68-9 [RN]
59995-59-4 [RN]
Bunitrolol [INN] [Wiki]
BUNITROLOL, (S)-
UNII:690AM71KOR
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 414.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.3±3.0 kJ/mol
Flash Point: 204.3±25.9 °C
Index of Refraction: 1.534
Molar Refractivity: 70.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): -1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.85
Polar Surface Area: 65 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 45.9±5.0 dyne/cm
Molar Volume: 227.2±5.0 cm3

Click to predict properties on the Chemicalize site


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