ChemSpider 2D Image | MDMB-FUBINACA | C22H24FN3O3

MDMB-FUBINACA

  • Molecular FormulaC22H24FN3O3
  • Average mass397.443 Da
  • Monoisotopic mass397.180176 Da
  • ChemSpider ID32741674
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1715016-77-5 [RN]
544DR70TN4
L-Valine, N-[[1-[(4-fluorophenyl)methyl]-1H-indazol-3-yl]carbonyl]-3-methyl-, methyl ester [ACD/Index Name]
MDMB-FUBINACA [Wiki]
Methyl N-{[1-(4-fluorobenzyl)-1H-indazol-3-yl]carbonyl}-3-methyl-L-valinate [ACD/IUPAC Name]
Methyl-N-{[1-(4-fluorbenzyl)-1H-indazol-3-yl]carbonyl}-3-methyl-L-valinat [German] [ACD/IUPAC Name]
N-{[1-(4-Fluorobenzyl)-1H-indazol-3-yl]carbonyl}-3-méthyl-L-valinate de méthyle [French] [ACD/IUPAC Name]
methyl (S)-2-(1-(4-fluorobenzyl)-1H-indazole-3-carboxamido)-3,3-dimethylbutanoate
UNII:544DR70TN4
MDMB-FUBINACA?

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 596.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 314.4±28.7 °C
Index of Refraction: 1.582
Molar Refractivity: 109.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 721.72
ACD/KOC (pH 5.5): 3869.21
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 721.33
ACD/KOC (pH 7.4): 3867.12
Polar Surface Area: 73 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 41.2±7.0 dyne/cm
Molar Volume: 327.1±7.0 cm3

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