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ChemSpider 2D Image | 1-[(2S)-2-(3-Methoxyphenyl)-1-pyrrolidinyl]ethanone | C13H17NO2

1-[(2S)-2-(3-Methoxyphenyl)-1-pyrrolidinyl]ethanone

  • Molecular FormulaC13H17NO2
  • Average mass219.280 Da
  • Monoisotopic mass219.125931 Da
  • ChemSpider ID96663355

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(2S)-2-(3-Methoxyphenyl)-1-pyrrolidinyl]ethanon [German] [ACD/IUPAC Name]
1-[(2S)-2-(3-Methoxyphenyl)-1-pyrrolidinyl]ethanone [ACD/IUPAC Name]
1-[(2S)-2-(3-Méthoxyphényl)-1-pyrrolidinyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(2S)-2-(3-methoxyphenyl)-1-pyrrolidinyl]- [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: 376.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.4±3.0 kJ/mol
Flash Point: 181.2±27.9 °C
Index of Refraction: 1.538
Molar Refractivity: 62.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.65
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 14.85
ACD/KOC (pH 5.5): 240.06
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 14.85
ACD/KOC (pH 7.4): 240.06
Polar Surface Area: 30 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 199.2±3.0 cm3

Click to predict properties on the Chemicalize site


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