ChemSpider 2D Image | N-[Cyano(cyclohexyl)methyl]-4-(methylsulfonyl)butanamide | C13H22N2O3S

N-[Cyano(cyclohexyl)methyl]-4-(methylsulfonyl)butanamide

  • Molecular FormulaC13H22N2O3S
  • Average mass286.390 Da
  • Monoisotopic mass286.135101 Da
  • ChemSpider ID30450395

More details:

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

Butanamide, N-(cyanocyclohexylmethyl)-4-(methylsulfonyl)- [ACD/Index Name]
N-[Cyan(cyclohexyl)methyl]-4-(methylsulfonyl)butanamid [German] [ACD/IUPAC Name]
N-[Cyano(cyclohexyl)methyl]-4-(methylsulfonyl)butanamide [ACD/IUPAC Name]
N-[Cyano(cyclohexyl)méthyl]-4-(méthylsulfonyl)butanamide [French] [ACD/IUPAC Name]
1436175-54-0 [RN]
N-[CYANO(CYCLOHEXYL)METHYL]-4-METHANESULFONYLBUTANAMIDE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 578.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 303.4±25.9 °C
Index of Refraction: 1.505
Molar Refractivity: 72.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.09
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 2.77
ACD/KOC (pH 5.5): 72.11
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 2.77
ACD/KOC (pH 7.4): 72.11
Polar Surface Area: 95 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 244.9±3.0 cm3

Click to predict properties on the Chemicalize site


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