ChemSpider 2D Image | N-[5-(3-Pyridinylmethyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]-2-propanesulfonamide | C12H19N5O2S

N-[5-(3-Pyridinylmethyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]-2-propanesulfonamide

  • Molecular FormulaC12H19N5O2S
  • Average mass297.377 Da
  • Monoisotopic mass297.125946 Da
  • ChemSpider ID23482445

More details:

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

2-Propanesulfonamide, N-[1,4,5,6-tetrahydro-5-(3-pyridinylmethyl)-1,3,5-triazin-2-yl]- [ACD/Index Name]
N-[5-(3-Pyridinylmethyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]-2-propanesulfonamide [ACD/IUPAC Name]
N-[5-(3-Pyridinylméthyl)-1,4,5,6-tétrahydro-1,3,5-triazin-2-yl]-2-propanesulfonamide [French] [ACD/IUPAC Name]
N-[5-(3-Pyridinylmethyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]-2-propansulfonamid [German] [ACD/IUPAC Name]
N-[5-(Pyridin-3-ylmethyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]propane-2-sulfonamide
1211081-99-0 [RN]
2-Propanesulfonamide, N-[5-[2-(dimethylamino)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]- [ACD/Index Name]
N-[3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]propane-2-sulfonamide
N-{5-[2-(Dimethylamino)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}propane-2-sulfonamide
Propane-2-sulfonic acid (5-pyridin-3-ylmethyl-1,4,5,6-tetrahydro-[1,3,5]triazin-2-yl)-amide

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 450.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.0±3.0 kJ/mol
    Flash Point: 226.3±31.5 °C
    Index of Refraction: 1.641
    Molar Refractivity: 78.3±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: -1.29
    ACD/LogD (pH 5.5): -0.73
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 8.30
    ACD/LogD (pH 7.4): -1.18
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.89
    Polar Surface Area: 95 Å2
    Polarizability: 31.0±0.5 10-24cm3
    Surface Tension: 53.7±7.0 dyne/cm
    Molar Volume: 217.0±7.0 cm3

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