ChemSpider 2D Image | [2-(Cyclohexylmethyl)-1-pyrrolidinyl][4-(methylsulfinyl)phenyl]methanone | C19H27NO2S

[2-(Cyclohexylmethyl)-1-pyrrolidinyl][4-(methylsulfinyl)phenyl]methanone

  • Molecular FormulaC19H27NO2S
  • Average mass333.488 Da
  • Monoisotopic mass333.176239 Da
  • ChemSpider ID30109099

More details:






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

[2-(Cyclohexylmethyl)-1-pyrrolidinyl][4-(methylsulfinyl)phenyl]methanon [German] [ACD/IUPAC Name]
[2-(Cyclohexylmethyl)-1-pyrrolidinyl][4-(methylsulfinyl)phenyl]methanone [ACD/IUPAC Name]
[2-(Cyclohexylméthyl)-1-pyrrolidinyl][4-(méthylsulfinyl)phényl]méthanone [French] [ACD/IUPAC Name]
Methanone, [2-(cyclohexylmethyl)-1-pyrrolidinyl][4-(methylsulfinyl)phenyl]- [ACD/Index Name]
2-(CYCLOHEXYLMETHYL)-1-(4-METHANESULFINYLBENZOYL)PYRROLIDINE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 526.4±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 272.1±25.4 °C
Index of Refraction: 1.600
Molar Refractivity: 95.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 96.30
ACD/KOC (pH 5.5): 915.12
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 96.30
ACD/KOC (pH 7.4): 915.12
Polar Surface Area: 57 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 279.9±5.0 cm3

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