ChemSpider 2D Image | 1-(5-Isobutyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-(4-quinolinylmethyl)methanamine | C18H22N4O

1-(5-Isobutyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-(4-quinolinylmethyl)methanamine

  • Molecular FormulaC18H22N4O
  • Average mass310.393 Da
  • Monoisotopic mass310.179352 Da
  • ChemSpider ID29668880

More details:

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

1-(4-Chinolinyl)-N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylmethanamin [German] [ACD/IUPAC Name]
1-(5-Isobutyl-1,2,4-oxadiazol-3-yl)-N-méthyl-N-(4-quinoléinylméthyl)méthanamine [French] [ACD/IUPAC Name]
1-(5-Isobutyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-(4-quinolinylmethyl)methanamine [ACD/IUPAC Name]
4-Quinolinemethanamine, N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]- [ACD/Index Name]
1-(5-isobutyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-(quinolin-4-ylmethyl)methanamine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 460.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 232.3±31.5 °C
Index of Refraction: 1.597
Molar Refractivity: 91.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 59.61
ACD/KOC (pH 5.5): 546.63
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 108.02
ACD/KOC (pH 7.4): 990.63
Polar Surface Area: 55 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 269.5±3.0 cm3

Click to predict properties on the Chemicalize site


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