Found 767 results

Search term: MF = 'C_{20}H_{27}NO_{2}S'
ChemSpider 2D Image | N-[4-(2-Methyl-2-propanyl)benzyl]-1-[4-(methylsulfonyl)phenyl]ethanamine | C20H27NO2S

N-[4-(2-Methyl-2-propanyl)benzyl]-1-[4-(methylsulfonyl)phenyl]ethanamine

  • Molecular FormulaC20H27NO2S
  • Average mass345.499 Da
  • Monoisotopic mass345.176239 Da
  • ChemSpider ID22801708

More details:

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

Benzenemethanamine, N-[[4-(1,1-dimethylethyl)phenyl]methyl]-α-methyl-4-(methylsulfonyl)- [ACD/Index Name]
N-[4-(2-Methyl-2-propanyl)benzyl]-1-[4-(methylsulfonyl)phenyl]ethanamin [German] [ACD/IUPAC Name]
N-[4-(2-Methyl-2-propanyl)benzyl]-1-[4-(methylsulfonyl)phenyl]ethanamine [ACD/IUPAC Name]
N-[4-(2-Méthyl-2-propanyl)benzyl]-1-[4-(méthylsulfonyl)phényl]éthanamine [French] [ACD/IUPAC Name]
[(4-TERT-BUTYLPHENYL)METHYL][1-(4-METHANESULFONYLPHENYL)ETHYL]AMINE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 484.6±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 246.9±26.5 °C
Index of Refraction: 1.549
Molar Refractivity: 100.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 1.43
ACD/KOC (pH 5.5): 10.47
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 70.55
ACD/KOC (pH 7.4): 515.19
Polar Surface Area: 55 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 317.5±3.0 cm3

Click to predict properties on the Chemicalize site


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