ChemSpider 2D Image | 1-Methyl-4-[2-(5-nitro-2-furoyl)-1,2,3,4-tetrahydro-6-isoquinolinyl]piperazin-1-ium | C19H23N4O4

1-Methyl-4-[2-(5-nitro-2-furoyl)-1,2,3,4-tetrahydro-6-isoquinolinyl]piperazin-1-ium

  • Molecular FormulaC19H23N4O4
  • Average mass371.410 Da
  • Monoisotopic mass371.171387 Da
  • ChemSpider ID21434034

  • Charge - Charge

More details:

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

1-Methyl-4-[2-(5-nitro-2-furoyl)-1,2,3,4-tetrahydro-6-isochinolinyl]piperazin-1-ium [German] [ACD/IUPAC Name]
1-Méthyl-4-[2-(5-nitro-2-furoyl)-1,2,3,4-tétrahydro-6-isoquinoléinyl]pipérazin-1-ium [French] [ACD/IUPAC Name]
1-Methyl-4-[2-(5-nitro-2-furoyl)-1,2,3,4-tetrahydro-6-isoquinolinyl]piperazin-1-ium [ACD/IUPAC Name]
Methanone, [3,4-dihydro-6-(4-methyl-1-piperazinyl)-2(1H)-isoquinolinyl](5-nitro-2-furanyl)-, conjugate monoacid [ACD/Index Name]
1-Methyl-4-[2-(5-nitro-furan-2-carbonyl)-1,2,3,4-tetrahydro-isoquinolin-6-yl]-piperazin-1-ium

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

Density:
Boiling Point: 587.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 309.1±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.46
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.10
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 13.40
ACD/KOC (pH 7.4): 174.66
Polar Surface Area: 87 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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