ChemSpider 2D Image | 3,3'-(1,4-Piperazinediyldi-2-butyne-4,1-diyl)bis(1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione) | C32H44N4O4

3,3'-(1,4-Piperazinediyldi-2-butyne-4,1-diyl)bis(1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione)

  • Molecular FormulaC32H44N4O4
  • Average mass548.716 Da
  • Monoisotopic mass548.336243 Da
  • ChemSpider ID3507740

More details:

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

3,3'-(1,4-Piperazindiyldi-2-butin-4,1-diyl)bis(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-2,4-dion) [German] [ACD/IUPAC Name]
3,3'-(1,4-Piperazinediyldi-2-butyne-4,1-diyl)bis(1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione) [ACD/IUPAC Name]
3,3'-(1,4-Pipérazinediyldi-2-butyne-4,1-diyl)bis(1,8,8-triméthyl-3-azabicyclo[3.2.1]octane-2,4-dione) [French] [ACD/IUPAC Name]
3,3'-(piperazine-1,4-diyldibut-2-yne-4,1-diyl)bis(1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione)
3-Azabicyclo[3.2.1]octane-2,4-dione, 3,3'-(1,4-piperazinediyldi-2-butyne-4,1-diyl)bis[1,8,8-trimethyl- [ACD/Index Name]
302589-48-6 [RN]
5,8,8-trimethyl-3-[4-[4-[4-(5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)but-2-ynyl]piperazin-1-yl]but-2-ynyl]-3-azabicyclo[3.2.1]octane-2,4-dione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 694.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 279.0±23.9 °C
Index of Refraction: 1.557
Molar Refractivity: 151.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.39
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 857.91
ACD/KOC (pH 5.5): 3780.62
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1426.35
ACD/KOC (pH 7.4): 6285.59
Polar Surface Area: 81 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 468.8±3.0 cm3

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