ChemSpider 2D Image | 1-[1-(3,4-Diethoxybenzyl)-6,7-diethoxy-3,4-dihydro-2(1H)-isoquinolinyl]-2-(4-methyl-1-piperazinyl)ethanone | C31H45N3O5

1-[1-(3,4-Diethoxybenzyl)-6,7-diethoxy-3,4-dihydro-2(1H)-isoquinolinyl]-2-(4-methyl-1-piperazinyl)ethanone

  • Molecular FormulaC31H45N3O5
  • Average mass539.706 Da
  • Monoisotopic mass539.335938 Da
  • ChemSpider ID2955411

More details:

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

1-[1-(3,4-Diethoxybenzyl)-6,7-diethoxy-3,4-dihydro-2(1H)-isochinolinyl]-2-(4-methyl-1-piperazinyl)ethanon [German] [ACD/IUPAC Name]
1-[1-(3,4-Diéthoxybenzyl)-6,7-diéthoxy-3,4-dihydro-2(1H)-isoquinoléinyl]-2-(4-méthyl-1-pipérazinyl)éthanone [French] [ACD/IUPAC Name]
1-[1-(3,4-Diethoxybenzyl)-6,7-diethoxy-3,4-dihydro-2(1H)-isoquinolinyl]-2-(4-methyl-1-piperazinyl)ethanone [ACD/IUPAC Name]
Ethanone, 1-[1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydro-2(1H)-isoquinolinyl]-2-(4-methyl-1-piperazinyl)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 668.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 358.0±31.5 °C
Index of Refraction: 1.549
Molar Refractivity: 153.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 7.07
ACD/KOC (pH 5.5): 37.03
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 311.46
ACD/KOC (pH 7.4): 1632.31
Polar Surface Area: 64 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 483.5±3.0 cm3

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