ChemSpider 2D Image | MDMB-4en-PICA | C21H28N2O3

MDMB-4en-PICA

  • Molecular FormulaC21H28N2O3
  • Average mass356.459 Da
  • Monoisotopic mass356.209991 Da
  • ChemSpider ID79413382

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Méthyl-N-{[1-(4-pentén-1-yl)-1H-indol-3-yl]carbonyl}-L-valinate de méthyle [French] [ACD/IUPAC Name]
L-Valine, 3-methyl-N-[[1-(4-penten-1-yl)-1H-indol-3-yl]carbonyl]-, methyl ester [ACD/Index Name]
MDMB-4en-PICA
Methyl 3-methyl-N-{[1-(4-penten-1-yl)-1H-indol-3-yl]carbonyl}-L-valinate [ACD/IUPAC Name]
Methyl-3-methyl-N-{[1-(4-penten-1-yl)-1H-indol-3-yl]carbonyl}-L-valinat [German] [ACD/IUPAC Name]
2659308-32-2 [RN]
methyl (S)-3,3-dimethyl-2-(1-(pent-4-en-1-yl)-1H-indole-3-carboxamido)butanoate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 541.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 281.3±27.3 °C
Index of Refraction: 1.540
Molar Refractivity: 103.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 771.93
ACD/KOC (pH 5.5): 4060.03
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 771.93
ACD/KOC (pH 7.4): 4060.02
Polar Surface Area: 60 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 37.1±7.0 dyne/cm
Molar Volume: 331.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement