ChemSpider 2D Image | 1-butyl-3-[2-(dimethylamino)ethyl]-1H-indol-4-yl dihydrogen phosphate | C16H25N2O4P

1-butyl-3-[2-(dimethylamino)ethyl]-1H-indol-4-yl dihydrogen phosphate

  • Molecular FormulaC16H25N2O4P
  • Average mass340.354 Da
  • Monoisotopic mass340.155182 Da
  • ChemSpider ID23263138

More details:

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

1-butyl-3-[2-(dimethylamino)ethyl]-1H-indol-4-yl dihydrogen phosphate [ACD/IUPAC Name]
1-Butyl-3-[2-(dimethylamino)ethyl]-1H-indol-4-yldihydrogenphosphat [German] [ACD/IUPAC Name]
1H-indol-4-ol, 1-butyl-3-[2-(dimethylamino)ethyl]-, dihydrogen phosphate (ester) [ACD/Index Name]
Dihydrogénophosphate de 1-butyl-3-[2-(diméthylamino)éthyl]-1H-indol-4-yle [French] [ACD/IUPAC Name]
CHEMBL371753
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL371753/
Phosphoric acid mono-[1-butyl-3-(2-dimethylamino-ethyl)-1H-indol-4-yl] ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 532.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 275.8±32.9 °C
Index of Refraction: 1.574
Molar Refractivity: 89.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): -1.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 85 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 270.9±7.0 cm3

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