ChemSpider 2D Image | 2-(Benzylamino)-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl (~2~H_5_)benzoate | C22H18D5NO3

2-(Benzylamino)-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl (2H5)benzoate

  • Molecular FormulaC22H18D5NO3
  • Average mass354.454 Da
  • Monoisotopic mass354.199188 Da
  • ChemSpider ID9079609

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H5)Benzoate de 2-(benzylamino)-4,4-diméthyl-6-oxo-1-cyclohexén-1-yle [French] [ACD/IUPAC Name]
2-(Benzylamino)-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl (2H5)benzoate [ACD/IUPAC Name]
2-(Benzylamino)-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl-(2H5)benzoat [German] [ACD/IUPAC Name]
Benzoic-d5 acid, 4,4-dimethyl-6-oxo-2-[(phenylmethyl)amino]-1-cyclohexen-1-yl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 495.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 253.4±28.7 °C
Index of Refraction: 1.597
Molar Refractivity: 100.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 641.15
ACD/KOC (pH 5.5): 2923.04
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1260.52
ACD/KOC (pH 7.4): 5746.80
Polar Surface Area: 55 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 295.8±5.0 cm3

Click to predict properties on the Chemicalize site


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