ChemSpider 2D Image | (1S,4R)-2-Phenylbicyclo[2.2.1]heptan-2-amine | C13H17N

(1S,4R)-2-Phenylbicyclo[2.2.1]heptan-2-amine

  • Molecular FormulaC13H17N
  • Average mass187.281 Da
  • Monoisotopic mass187.136093 Da
  • ChemSpider ID110549557

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1S,4R)-2-Phenylbicyclo[2.2.1]heptan-2-amin [German] [ACD/IUPAC Name]
(1S,4R)-2-Phenylbicyclo[2.2.1]heptan-2-amine [ACD/IUPAC Name]
(1S,4R)-2-Phénylbicyclo[2.2.1]heptan-2-amine [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]heptan-2-amine, 2-phenyl-, (1S,4R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 291.6±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.1±3.0 kJ/mol
Flash Point: 135.0±16.8 °C
Index of Refraction: 1.578
Molar Refractivity: 58.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): -0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.03
Polar Surface Area: 26 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 175.4±3.0 cm3

Click to predict properties on the Chemicalize site


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