ChemSpider 2D Image | Ethyl (4R)-2-amino-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate | C20H23NO4

Ethyl (4R)-2-amino-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate

  • Molecular FormulaC20H23NO4
  • Average mass341.401 Da
  • Monoisotopic mass341.162720 Da
  • ChemSpider ID62489117
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(4R)-2-Amino-7,7-diméthyl-5-oxo-4-phényl-5,6,7,8-tétrahydro-4H-chromène-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-3-carboxylic acid, 2-amino-5,6,7,8-tetrahydro-7,7-dimethyl-5-oxo-4-phenyl-, ethyl ester, (4R)- [ACD/Index Name]
Ethyl (4R)-2-amino-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate [ACD/IUPAC Name]
Ethyl-(4R)-2-amino-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydro-4H-chromen-3-carboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 516.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 209.2±26.4 °C
Index of Refraction: 1.588
Molar Refractivity: 93.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 125.69
ACD/KOC (pH 5.5): 1104.01
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 127.02
ACD/KOC (pH 7.4): 1115.69
Polar Surface Area: 79 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 278.5±5.0 cm3

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