ChemSpider 2D Image | Methyl N-{[1-(4-fluorobutyl)-1H-indazol-3-yl]carbonyl}-3-methyl-L-valinate | C19H26FN3O3

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

  • Molecular FormulaC19H26FN3O3
  • Average mass363.426 Da
  • Monoisotopic mass363.195831 Da
  • ChemSpider ID71117201

  • 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-fluorobutyl)-1H-indazol-3-yl]carbonyl]-3-methyl-, methyl ester [ACD/Index Name]
Methyl N-{[1-(4-fluorobutyl)-1H-indazol-3-yl]carbonyl}-3-methyl-L-valinate [ACD/IUPAC Name]
Methyl-N-{[1-(4-fluorbutyl)-1H-indazol-3-yl]carbonyl}-3-methyl-L-valinat [German] [ACD/IUPAC Name]
N-{[1-(4-Fluorobutyl)-1H-indazol-3-yl]carbonyl}-3-méthyl-L-valinate de méthyle [French] [ACD/IUPAC Name]
4F-MDMB-BINACA [Wiki]
2390036-46-9 [RN]
4-fluoro MDMB-BUTINACA
methyl (S)-2-(1-(4-fluorobutyl)-1H-indazole-3-carboxamido)-3,3-dimethylbutanoate
N-[[1-(4-Fluorobutyl)-1H-indazol-3-yl]carbonyl]-3-methyl-L-valine, methyl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 542.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 281.9±27.3 °C
Index of Refraction: 1.549
Molar Refractivity: 97.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 144.36
ACD/KOC (pH 5.5): 1222.76
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 144.29
ACD/KOC (pH 7.4): 1222.21
Polar Surface Area: 73 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 38.8±7.0 dyne/cm
Molar Volume: 307.4±7.0 cm3

Click to predict properties on the Chemicalize site


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