ChemSpider 2D Image | (2S)-1-Benzyl-2-methyl-4-piperidinone | C13H17NO

(2S)-1-Benzyl-2-methyl-4-piperidinone

  • Molecular FormulaC13H17NO
  • Average mass203.280 Da
  • Monoisotopic mass203.131012 Da
  • ChemSpider ID32802409

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-Benzyl-2-methyl-4-piperidinon [German] [ACD/IUPAC Name]
(2S)-1-Benzyl-2-methyl-4-piperidinone [ACD/IUPAC Name]
(2S)-1-Benzyl-2-méthyl-4-pipéridinone [French] [ACD/IUPAC Name]
4-Piperidinone, 2-methyl-1-(phenylmethyl)-, (2S)- [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: 314.9±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.6±3.0 kJ/mol
Flash Point: 135.0±11.9 °C
Index of Refraction: 1.543
Molar Refractivity: 60.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.30
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 8.78
ACD/KOC (pH 7.4): 145.81
Polar Surface Area: 20 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 192.3±3.0 cm3

Click to predict properties on the Chemicalize site


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