ChemSpider 2D Image | N-Benzyltetrahydro-2H-thiopyran-4-amine | C12H17NS

N-Benzyltetrahydro-2H-thiopyran-4-amine

  • Molecular FormulaC12H17NS
  • Average mass207.335 Da
  • Monoisotopic mass207.108170 Da
  • ChemSpider ID21540834

More details:

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

2H-Thiopyran-4-amine, tetrahydro-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyltetrahydro-2H-thiopyran-4-amin [German] [ACD/IUPAC Name]
N-Benzyltetrahydro-2H-thiopyran-4-amine [ACD/IUPAC Name]
N-Benzyltétrahydro-2H-thiopyrane-4-amine [French] [ACD/IUPAC Name]
[887978-08-7] [RN]
4-(Benzylamino)tetrahydrothiopyran
887978-08-7 [RN]
90914-35-5 [RN]
MFCD06410637 [MDL number]
N-BENZYL-TETRAHYDRO-2H-THIOPYRAN-4-AMINE
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 333.0±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.6±3.0 kJ/mol
    Flash Point: 155.2±25.9 °C
    Index of Refraction: 1.581
    Molar Refractivity: 64.1±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.61
    ACD/LogD (pH 5.5): 0.16
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.33
    ACD/LogD (pH 7.4): 1.55
    ACD/BCF (pH 7.4): 3.74
    ACD/KOC (pH 7.4): 32.38
    Polar Surface Area: 37 Å2
    Polarizability: 25.4±0.5 10-24cm3
    Surface Tension: 43.2±5.0 dyne/cm
    Molar Volume: 192.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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