ChemSpider 2D Image | (2S)-2-[(2,6-Dibromo-4-methylphenyl)amino]propanenitrile | C10H10Br2N2

(2S)-2-[(2,6-Dibromo-4-methylphenyl)amino]propanenitrile

  • Molecular FormulaC10H10Br2N2
  • Average mass318.008 Da
  • Monoisotopic mass315.921051 Da
  • ChemSpider ID62680932

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-[(2,6-Dibrom-4-methylphenyl)amino]propannitril [German] [ACD/IUPAC Name]
(2S)-2-[(2,6-Dibromo-4-methylphenyl)amino]propanenitrile [ACD/IUPAC Name]
(2S)-2-[(2,6-Dibromo-4-méthylphényl)amino]propanenitrile [French] [ACD/IUPAC Name]
Propanenitrile, 2-[(2,6-dibromo-4-methylphenyl)amino]-, (2S)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 400.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.2±3.0 kJ/mol
Flash Point: 196.3±28.7 °C
Index of Refraction: 1.626
Molar Refractivity: 65.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 215.29
ACD/KOC (pH 5.5): 1627.75
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 215.29
ACD/KOC (pH 7.4): 1627.75
Polar Surface Area: 36 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 184.3±3.0 cm3

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