ChemSpider 2D Image | 3-[(2R,3R)-3-Amino-1-(4-chlorophenyl)-2-butanyl]benzonitrile | C17H17ClN2

3-[(2R,3R)-3-Amino-1-(4-chlorophenyl)-2-butanyl]benzonitrile

  • Molecular FormulaC17H17ClN2
  • Average mass284.783 Da
  • Monoisotopic mass284.108032 Da
  • ChemSpider ID62793232

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-[(2R,3R)-3-Amino-1-(4-chlorophenyl)-2-butanyl]benzonitrile [ACD/IUPAC Name]
3-[(2R,3R)-3-Amino-1-(4-chlorophényl)-2-butanyl]benzonitrile [French] [ACD/IUPAC Name]
3-[(2R,3R)-3-Amino-1-(4-chlorphenyl)-2-butanyl]benzonitril [German] [ACD/IUPAC Name]
Benzonitrile, 3-[(1R,2R)-2-amino-1-[(4-chlorophenyl)methyl]propyl]- [ACD/Index Name]
789490-07-9 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 402.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.4±3.0 kJ/mol
Flash Point: 197.3±28.7 °C
Index of Refraction: 1.603
Molar Refractivity: 83.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.64
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 2.67
ACD/KOC (pH 7.4): 19.46
Polar Surface Area: 50 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 51.9±5.0 dyne/cm
Molar Volume: 241.5±5.0 cm3

Click to predict properties on the Chemicalize site


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