ChemSpider 2D Image | 2-[Cyclopropyl(tetrahydro-2H-thiopyran-4-yl)amino]butanoic acid | C12H21NO2S

2-[Cyclopropyl(tetrahydro-2H-thiopyran-4-yl)amino]butanoic acid

  • Molecular FormulaC12H21NO2S
  • Average mass243.366 Da
  • Monoisotopic mass243.129303 Da
  • ChemSpider ID53615581

More details:

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

2-[Cyclopropyl(tetrahydro-2H-thiopyran-4-yl)amino]butanoic acid [ACD/IUPAC Name]
2-[Cyclopropyl(tetrahydro-2H-thiopyran-4-yl)amino]butansäure [German] [ACD/IUPAC Name]
Acide 2-[cyclopropyl(tétrahydro-2H-thiopyrane-4-yl)amino]butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-[cyclopropyl(tetrahydro-2H-thiopyran-4-yl)amino]- [ACD/Index Name]
2-(cyclopropyl(tetrahydro-2H-thiopyran-4-yl)amino)butanoic acid
2097947-35-6 [RN]
MFCD29998060

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 399.2±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 71.3±6.0 kJ/mol
    Flash Point: 195.2±26.5 °C
    Index of Refraction: 1.563
    Molar Refractivity: 67.0±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.04
    ACD/LogD (pH 5.5): -0.34
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.13
    ACD/LogD (pH 7.4): -0.34
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.13
    Polar Surface Area: 66 Å2
    Polarizability: 26.6±0.5 10-24cm3
    Surface Tension: 49.2±5.0 dyne/cm
    Molar Volume: 206.3±5.0 cm3

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