ChemSpider 2D Image | 3-[2-(Dimethylamino)(~2~H_4_)ethyl]-1H-indol-4-yl dihydrogen phosphate | C12H13D4N2O4P

3-[2-(Dimethylamino)(2H4)ethyl]-1H-indol-4-yl dihydrogen phosphate

  • Molecular FormulaC12H13D4N2O4P
  • Average mass288.273 Da
  • Monoisotopic mass288.117706 Da
  • ChemSpider ID58794099

  • Non-standard isotope - Non-standard isotope

More details:

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

1H-Indol-4-ol, 3-[2-(dimethylamino)ethyl-1,1,2,2-d4]-, dihydrogen phosphate (ester) [ACD/Index Name]
3-[2-(Dimethylamino)(2H4)ethyl]-1H-indol-4-yl dihydrogen phosphate [ACD/IUPAC Name]
3-[2-(Dimethylamino)(2H4)ethyl]-1H-indol-4-yldihydrogenphosphat [German] [ACD/IUPAC Name]
Dihydrogénophosphate de 3-[2-(diméthylamino)(2H4)éthyl]-1H-indol-4-yle [French] [ACD/IUPAC Name]
1246819-43-1 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 523.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 270.4±32.9 °C
Index of Refraction: 1.645
Molar Refractivity: 73.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.03
ACD/LogD (pH 5.5): -2.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 66.2±3.0 dyne/cm
Molar Volume: 201.6±3.0 cm3

Click to predict properties on the Chemicalize site


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