ChemSpider 2D Image | 2-[(1R)-3-Amino-1-phenylpropoxy]-4-chlorobenzonitrile | C16H15ClN2O

2-[(1R)-3-Amino-1-phenylpropoxy]-4-chlorobenzonitrile

  • Molecular FormulaC16H15ClN2O
  • Average mass286.756 Da
  • Monoisotopic mass286.087280 Da
  • ChemSpider ID26326033

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-[(1R)-3-Amino-1-phenylpropoxy]-4-chlorbenzonitril [German] [ACD/IUPAC Name]
2-[(1r)-3-Amino-1-Phenyl-Propoxy]-4-Chloro-Benzonitrile
2-[(1R)-3-Amino-1-phenylpropoxy]-4-chlorobenzonitrile [ACD/IUPAC Name]
2-[(1R)-3-Amino-1-phénylpropoxy]-4-chlorobenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-[(1R)-3-amino-1-phenylpropoxy]-4-chloro- [ACD/Index Name]
A54

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

Density: 1.2±0.1 g/cm3
Boiling Point: 464.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 234.7±28.7 °C
Index of Refraction: 1.611
Molar Refractivity: 80.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.53
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 4.45
ACD/KOC (pH 7.4): 36.28
Polar Surface Area: 59 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 55.7±5.0 dyne/cm
Molar Volume: 230.7±5.0 cm3

Click to predict properties on the Chemicalize site


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