ChemSpider 2D Image | 8-{(2R)-2-Hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}-5-methyl-2H-chromen-2-one | C17H23NO4

8-{(2R)-2-Hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}-5-methyl-2H-chromen-2-one

  • Molecular FormulaC17H23NO4
  • Average mass305.369 Da
  • Monoisotopic mass305.162720 Da
  • ChemSpider ID32809526

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2H-1-Benzopyran-2-one, 8-[(2R)-3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-5-methyl- [ACD/Index Name]
8-{(2R)-2-Hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}-5-methyl-2H-chromen-2-on [German] [ACD/IUPAC Name]
8-{(2R)-2-Hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}-5-methyl-2H-chromen-2-one [ACD/IUPAC Name]
8-{(2R)-2-Hydroxy-3-[(2-méthyl-2-propanyl)amino]propoxy}-5-méthyl-2H-chromén-2-one [French] [ACD/IUPAC Name]
58409-59-9 [RN]
bucumolol [INN]
BUCUMOLOL,(R)-
UNII-U8WVJ3501L

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

46CO4UPI6L [DBID]
UNII:46CO4UPI6L [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 490.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 250.6±28.7 °C
Index of Refraction: 1.552
Molar Refractivity: 84.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): -0.71
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): 3.83
Polar Surface Area: 68 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 263.2±3.0 cm3

Click to predict properties on the Chemicalize site


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