ChemSpider 2D Image | (3R)-1-Benzyl-3-methyl-3-pyrrolidinecarbonitrile | C13H16N2

(3R)-1-Benzyl-3-methyl-3-pyrrolidinecarbonitrile

  • Molecular FormulaC13H16N2
  • Average mass200.279 Da
  • Monoisotopic mass200.131348 Da
  • ChemSpider ID32792679

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-1-Benzyl-3-methyl-3-pyrrolidincarbonitril [German] [ACD/IUPAC Name]
(3R)-1-Benzyl-3-methyl-3-pyrrolidinecarbonitrile [ACD/IUPAC Name]
(3R)-1-Benzyl-3-méthyl-3-pyrrolidinecarbonitrile [French] [ACD/IUPAC Name]
3-Pyrrolidinecarbonitrile, 3-methyl-1-(phenylmethyl)-, (3R)- [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: 314.7±35.0 °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: 129.9±15.2 °C
Index of Refraction: 1.565
Molar Refractivity: 61.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 1.17
ACD/KOC (pH 5.5): 12.05
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 40.10
ACD/KOC (pH 7.4): 413.23
Polar Surface Area: 27 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 187.1±5.0 cm3

Click to predict properties on the Chemicalize site


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