ChemSpider 2D Image | A-834735 degradant | C22H29NO2

A-834735 degradant

  • Molecular FormulaC22H29NO2
  • Average mass339.471 Da
  • Monoisotopic mass339.219818 Da
  • ChemSpider ID29341796

More details:

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

3,3,4-Trimethyl-1-[1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-indol-3-yl]-4-penten-1-on [German] [ACD/IUPAC Name]
3,3,4-Trimethyl-1-[1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-indol-3-yl]-4-penten-1-one [ACD/IUPAC Name]
3,3,4-Triméthyl-1-[1-(tétrahydro-2H-pyran-4-ylméthyl)-1H-indol-3-yl]-4-pentén-1-one [French] [ACD/IUPAC Name]
4-Penten-1-one, 3,3,4-trimethyl-1-[1-[(tetrahydro-2H-pyran-4-yl)methyl]-1H-indol-3-yl]- [ACD/Index Name]
A-834735 degradant
2244599-90-2 [RN]
3,3,4-trimethyl-1-(1-((tetrahydro-2H-pyran-4-yl)methyl)-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: 1.1±0.1 g/cm3
Boiling Point: 495.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 253.4±23.2 °C
Index of Refraction: 1.557
Molar Refractivity: 102.3±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2729.15
ACD/KOC (pH 5.5): 10025.43
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2729.15
ACD/KOC (pH 7.4): 10025.43
Polar Surface Area: 31 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 37.0±7.0 dyne/cm
Molar Volume: 317.6±7.0 cm3

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