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Search term: PTKRXKWGEADFCJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-(3-Iodo-4,5-dimethoxybenzyl)-1-propanamine | C12H18INO2

N-(3-Iodo-4,5-dimethoxybenzyl)-1-propanamine

  • Molecular FormulaC12H18INO2
  • Average mass335.181 Da
  • Monoisotopic mass335.038208 Da
  • ChemSpider ID57688051

More details:

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

Benzenemethanamine, 3-iodo-4,5-dimethoxy-N-propyl- [ACD/Index Name]
N-(3-Iod-4,5-dimethoxybenzyl)-1-propanamin [German] [ACD/IUPAC Name]
N-(3-Iodo-4,5-dimethoxybenzyl)-1-propanamine [ACD/IUPAC Name]
N-(3-Iodo-4,5-diméthoxybenzyl)-1-propanamine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 368.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.5±3.0 kJ/mol
Flash Point: 176.7±27.9 °C
Index of Refraction: 1.553
Molar Refractivity: 74.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.38
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 4.01
ACD/KOC (pH 7.4): 34.19
Polar Surface Area: 30 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 234.2±3.0 cm3

Click to predict properties on the Chemicalize site


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