ChemSpider 2D Image | (2S)-1-(4-Methylphenyl)-2-(1-pyrrolidinyl)-1-hexanone | C17H25NO

(2S)-1-(4-Methylphenyl)-2-(1-pyrrolidinyl)-1-hexanone

  • Molecular FormulaC17H25NO
  • Average mass259.387 Da
  • Monoisotopic mass259.193604 Da
  • ChemSpider ID32801629

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-(4-Methylphenyl)-2-(1-pyrrolidinyl)-1-hexanon [German] [ACD/IUPAC Name]
(2S)-1-(4-Methylphenyl)-2-(1-pyrrolidinyl)-1-hexanone [ACD/IUPAC Name]
(2S)-1-(4-Méthylphényl)-2-(1-pyrrolidinyl)-1-hexanone [French] [ACD/IUPAC Name]
1-Hexanone, 1-(4-methylphenyl)-2-(1-pyrrolidinyl)-, (2S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 377.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.5±3.0 kJ/mol
Flash Point: 131.4±12.5 °C
Index of Refraction: 1.531
Molar Refractivity: 79.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 1.98
ACD/KOC (pH 5.5): 10.53
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 96.80
ACD/KOC (pH 7.4): 516.39
Polar Surface Area: 20 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 257.1±3.0 cm3

Click to predict properties on the Chemicalize site


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