ChemSpider 2D Image | 4-[(3-Hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)methyl]-N,N-dimethyl-1-piperazinesulfonamide | C13H21N3O5S

4-[(3-Hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)methyl]-N,N-dimethyl-1-piperazinesulfonamide

  • Molecular FormulaC13H21N3O5S
  • Average mass331.388 Da
  • Monoisotopic mass331.120178 Da
  • ChemSpider ID31101364

More details:

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

1-Piperazinesulfonamide, 4-[(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)methyl]-N,N-dimethyl- [ACD/Index Name]
4-[(3-Hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)methyl]-N,N-dimethyl-1-piperazinesulfonamide [ACD/IUPAC Name]
4-[(3-Hydroxy-6-méthyl-4-oxo-4H-pyran-2-yl)méthyl]-N,N-diméthyl-1-pipérazinesulfonamide [French] [ACD/IUPAC Name]
4-[(3-Hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)methyl]-N,N-dimethyl-1-piperazinsulfonamid [German] [ACD/IUPAC Name]
1401602-95-6 [RN]
4-[(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
4-[(3-hydroxy-6-methyl-4-oxopyran-2-yl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
AGN-PC-0DAZQG
MCULE-2751167407
MolPort-023-294-413
More...

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 522.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 91.6±6.0 kJ/mol
    Flash Point: 269.6±30.1 °C
    Index of Refraction: 1.618
    Molar Refractivity: 81.1±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -0.81
    ACD/LogD (pH 5.5): -1.33
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.55
    ACD/LogD (pH 7.4): -0.89
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 7.13
    Polar Surface Area: 99 Å2
    Polarizability: 32.2±0.5 10-24cm3
    Surface Tension: 64.8±5.0 dyne/cm
    Molar Volume: 231.5±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement