ChemSpider 2D Image | UR-144 Degradant | C21H29NO

UR-144 Degradant

  • Molecular FormulaC21H29NO
  • Average mass311.461 Da
  • Monoisotopic mass311.224915 Da
  • ChemSpider ID29341797

More details:

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

1609273-88-2 [RN]
3,3,4-Trimethyl-1-(1-pentyl-1H-indol-3-yl)-4-penten-1-on [German] [ACD/IUPAC Name]
3,3,4-Trimethyl-1-(1-pentyl-1H-indol-3-yl)-4-penten-1-one [ACD/IUPAC Name]
3,3,4-Triméthyl-1-(1-pentyl-1H-indol-3-yl)-4-pentén-1-one [French] [ACD/IUPAC Name]
4-Penten-1-one, 3,3,4-trimethyl-1-(1-pentyl-1H-indol-3-yl)- [ACD/Index Name]
UR-144 Degradant
3,​3,​4-​Trimethyl-​1-​(1-​pentyl-​1H-​indol-​3-​yl)​-4-​penten-​1-​one
3,3,4-trimethyl-1-(1-pentyl-1H-indol-3-yl)pent-4-en-1-one

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

Density: 1.0±0.1 g/cm3
Boiling Point: 447.3±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 224.3±24.0 °C
Index of Refraction: 1.523
Molar Refractivity: 98.6±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.20
ACD/LogD (pH 5.5): 6.58
ACD/BCF (pH 5.5): 59345.39
ACD/KOC (pH 5.5): 90859.77
ACD/LogD (pH 7.4): 6.58
ACD/BCF (pH 7.4): 59345.39
ACD/KOC (pH 7.4): 90859.77
Polar Surface Area: 22 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 32.9±7.0 dyne/cm
Molar Volume: 322.7±7.0 cm3

Click to predict properties on the Chemicalize site


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