ChemSpider 2D Image | (2R)-4-[2-(Dimethylamino)ethyl]-6-methyl-2-phenyl-2H-1,4-benzoxazin-3(4H)-one | C19H22N2O2

(2R)-4-[2-(Dimethylamino)ethyl]-6-methyl-2-phenyl-2H-1,4-benzoxazin-3(4H)-one

  • Molecular FormulaC19H22N2O2
  • Average mass310.390 Da
  • Monoisotopic mass310.168121 Da
  • ChemSpider ID88297120

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-4-[2-(Dimethylamino)ethyl]-6-methyl-2-phenyl-2H-1,4-benzoxazin-3(4H)-on [German] [ACD/IUPAC Name]
(2R)-4-[2-(Dimethylamino)ethyl]-6-methyl-2-phenyl-2H-1,4-benzoxazin-3(4H)-one [ACD/IUPAC Name]
(2R)-4-[2-(Diméthylamino)éthyl]-6-méthyl-2-phényl-2H-1,4-benzoxazin-3(4H)-one [French] [ACD/IUPAC Name]
2H-1,4-Benzoxazin-3(4H)-one, 4-[2-(dimethylamino)ethyl]-6-methyl-2-phenyl-, (2R)- [ACD/Index Name]
65792-35-0 [RN]

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

AR 17048 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 522.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 269.9±30.1 °C
Index of Refraction: 1.578
Molar Refractivity: 90.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.00
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 8.67
ACD/KOC (pH 7.4): 70.22
Polar Surface Area: 33 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 273.2±3.0 cm3

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