ChemSpider 2D Image | N,N-Dimethyl-2-(4-nitro-1H-indol-3-yl)ethanamine | C12H15N3O2

N,N-Dimethyl-2-(4-nitro-1H-indol-3-yl)ethanamine

  • Molecular FormulaC12H15N3O2
  • Average mass233.266 Da
  • Monoisotopic mass233.116425 Da
  • ChemSpider ID62928938

More details:

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

1H-Indole-3-ethanamine, N,N-dimethyl-4-nitro- [ACD/Index Name]
N,N-Dimethyl-2-(4-nitro-1H-indol-3-yl)ethanamin [German] [ACD/IUPAC Name]
N,N-Dimethyl-2-(4-nitro-1H-indol-3-yl)ethanamine [ACD/IUPAC Name]
N,N-Diméthyl-2-(4-nitro-1H-indol-3-yl)éthanamine [French] [ACD/IUPAC Name]
91643-53-7 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 412.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.6±3.0 kJ/mol
Flash Point: 203.5±25.9 °C
Index of Refraction: 1.644
Molar Refractivity: 67.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): -0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.59
Polar Surface Area: 65 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 186.8±3.0 cm3

Click to predict properties on the Chemicalize site


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