ChemSpider 2D Image | 3-(3-{[2-(6-Iodo-1,3-benzodioxol-5-yl)ethyl]amino}propyl)-2-cyclopenten-1-yl acetate | C19H24INO4

3-(3-{[2-(6-Iodo-1,3-benzodioxol-5-yl)ethyl]amino}propyl)-2-cyclopenten-1-yl acetate

  • Molecular FormulaC19H24INO4
  • Average mass457.303 Da
  • Monoisotopic mass457.074982 Da
  • ChemSpider ID26596936

More details:

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

2-Cyclopenten-1-ol, 3-[3-[[2-(6-iodo-1,3-benzodioxol-5-yl)ethyl]amino]propyl]-, acetate (ester) [ACD/Index Name]
3-(3-{[2-(6-Iod-1,3-benzodioxol-5-yl)ethyl]amino}propyl)-2-cyclopenten-1-yl-acetat [German] [ACD/IUPAC Name]
3-(3-{[2-(6-Iodo-1,3-benzodioxol-5-yl)ethyl]amino}propyl)-2-cyclopenten-1-yl acetate [ACD/IUPAC Name]
Acétate de 3-(3-{[2-(6-iodo-1,3-benzodioxol-5-yl)éthyl]amino}propyl)-2-cyclopentén-1-yle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 506.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 260.2±30.1 °C
Index of Refraction: 1.611
Molar Refractivity: 104.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.44
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 3.73
ACD/KOC (pH 7.4): 17.53
Polar Surface Area: 57 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 300.6±5.0 cm3

Click to predict properties on the Chemicalize site


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