ChemSpider 2D Image | 1-[1-Butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]-N-(4-ethylbenzyl)-N-methylmethanamine | C20H31N3O2S

1-[1-Butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]-N-(4-ethylbenzyl)-N-methylmethanamine

  • Molecular FormulaC20H31N3O2S
  • Average mass377.544 Da
  • Monoisotopic mass377.213684 Da
  • ChemSpider ID22162875

More details:

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

1-[1-Butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]-N-(4-ethylbenzyl)-N-methylmethanamin [German] [ACD/IUPAC Name]
1-[1-Butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]-N-(4-ethylbenzyl)-N-methylmethanamine [ACD/IUPAC Name]
1-[1-Butyl-2-(éthylsulfonyl)-1H-imidazol-5-yl]-N-(4-éthylbenzyl)-N-méthylméthanamine [French] [ACD/IUPAC Name]
1H-Imidazole-5-methanamine, 1-butyl-N-[(4-ethylphenyl)methyl]-2-(ethylsulfonyl)-N-methyl- [ACD/Index Name]
{[1-BUTYL-2-(ETHANESULFONYL)-1H-IMIDAZOL-5-YL]METHYL}[(4-ETHYLPHENYL)METHYL]METHYLAMINE
{[3-BUTYL-2-(ETHANESULFONYL)IMIDAZOL-4-YL]METHYL}[(4-ETHYLPHENYL)METHYL]METHYLAMINE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 510.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 262.3±27.9 °C
Index of Refraction: 1.557
Molar Refractivity: 109.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 2.28
ACD/KOC (pH 5.5): 18.54
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 84.50
ACD/KOC (pH 7.4): 688.75
Polar Surface Area: 64 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 39.9±7.0 dyne/cm
Molar Volume: 340.6±7.0 cm3

Click to predict properties on the Chemicalize site


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