ChemSpider 2D Image | [(3S)-1-(4-Nitrophenyl)-3-piperidinyl]methanol | C12H16N2O3

[(3S)-1-(4-Nitrophenyl)-3-piperidinyl]methanol

  • Molecular FormulaC12H16N2O3
  • Average mass236.267 Da
  • Monoisotopic mass236.116089 Da
  • ChemSpider ID32791383

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(3S)-1-(4-Nitrophenyl)-3-piperidinyl]methanol [German] [ACD/IUPAC Name]
[(3S)-1-(4-Nitrophenyl)-3-piperidinyl]methanol [ACD/IUPAC Name]
[(3S)-1-(4-Nitrophényl)-3-pipéridinyl]méthanol [French] [ACD/IUPAC Name]
3-Piperidinemethanol, 1-(4-nitrophenyl)-, (3S)- [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: 428.7±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 213.0±21.8 °C
Index of Refraction: 1.579
Molar Refractivity: 63.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 15.77
ACD/KOC (pH 5.5): 250.60
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.77
ACD/KOC (pH 7.4): 250.61
Polar Surface Area: 69 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 192.1±3.0 cm3

Click to predict properties on the Chemicalize site


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