ChemSpider 2D Image | (4S)-4-(Aminomethyl)-1-phenyl-2-pyrrolidinone | C11H14N2O

(4S)-4-(Aminomethyl)-1-phenyl-2-pyrrolidinone

  • Molecular FormulaC11H14N2O
  • Average mass190.242 Da
  • Monoisotopic mass190.110611 Da
  • ChemSpider ID32798104

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-4-(Aminomethyl)-1-phenyl-2-pyrrolidinon [German] [ACD/IUPAC Name]
(4S)-4-(Aminomethyl)-1-phenyl-2-pyrrolidinone [ACD/IUPAC Name]
(4S)-4-(Aminométhyl)-1-phényl-2-pyrrolidinone [French] [ACD/IUPAC Name]
2-Pyrrolidinone, 4-(aminomethyl)-1-phenyl-, (4S)- [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: 407.6±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 65.9±3.0 kJ/mol
Flash Point: 200.3±21.2 °C
Index of Refraction: 1.578
Molar Refractivity: 54.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.53
ACD/LogD (pH 5.5): -2.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 46 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 165.2±3.0 cm3

Click to predict properties on the Chemicalize site


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