ChemSpider 2D Image | Methyl N-{[1-(4-cyanobutyl)-1H-indazol-3-yl]carbonyl}-L-valinate | C19H24N4O3

Methyl N-{[1-(4-cyanobutyl)-1H-indazol-3-yl]carbonyl}-L-valinate

  • Molecular FormulaC19H24N4O3
  • Average mass356.419 Da
  • Monoisotopic mass356.184845 Da
  • ChemSpider ID109107939

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Valine, N-[[1-(4-cyanobutyl)-1H-indazol-3-yl]carbonyl]-, methyl ester [ACD/Index Name]
Methyl N-{[1-(4-cyanobutyl)-1H-indazol-3-yl]carbonyl}-L-valinate [ACD/IUPAC Name]
Methyl-N-{[1-(4-cyanbutyl)-1H-indazol-3-yl]carbonyl}-L-valinat [German] [ACD/IUPAC Name]
N-{[1-(4-Cyanobutyl)-1H-indazol-3-yl]carbonyl}-L-valinate de méthyle [French] [ACD/IUPAC Name]
2659308-48-0 [RN]
4-cyano MMB-BUTINACA

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

Density: 1.2±0.1 g/cm3
Boiling Point: 607.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.3±3.0 kJ/mol
Flash Point: 321.3±28.7 °C
Index of Refraction: 1.585
Molar Refractivity: 99.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 22.50
ACD/KOC (pH 5.5): 323.18
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 22.48
ACD/KOC (pH 7.4): 322.99
Polar Surface Area: 97 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 44.6±7.0 dyne/cm
Molar Volume: 296.8±7.0 cm3

Click to predict properties on the Chemicalize site


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