ChemSpider 2D Image | tert-butyl octahydro-1H-pyrido[3,4-b][1,4]thiazine-6-carboxylate | C12H22N2O2S

tert-butyl octahydro-1H-pyrido[3,4-b][1,4]thiazine-6-carboxylate

  • Molecular FormulaC12H22N2O2S
  • Average mass258.380 Da
  • Monoisotopic mass258.140198 Da
  • ChemSpider ID48064314

More details:

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

1422343-86-9 [RN]
2-Methyl-2-propanyl octahydro-6H-pyrido[3,4-b][1,4]thiazine-6-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-octahydro-6H-pyrido[3,4-b][1,4]thiazin-6-carboxylat [German] [ACD/IUPAC Name]
6H-Pyrido[3,4-b][1,4]thiazine-6-carboxylic acid, octahydro-, 1,1-dimethylethyl ester [ACD/Index Name]
Octahydro-6H-pyrido[3,4-b][1,4]thiazine-6-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl octahydro-1H-pyrido[3,4-b][1,4]thiazine-6-carboxylate
MFCD22370190
tert-Butyl hexahydro-1H-pyrido[3,4-b][1,4]thiazine-6(7H)-carboxylate
Tert-Butyl Hexahydro-1H-Pyrido[3,4-B][1,4]Thiazine-6(7H)-Carboxylate(WX111371)
tert-butyl octahydro-6H-pyrido[3,4-b][1,4]thiazine-6-carboxylate

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 369.7±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.7±3.0 kJ/mol
    Flash Point: 177.4±27.9 °C
    Index of Refraction: 1.517
    Molar Refractivity: 70.2±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.49
    ACD/LogD (pH 5.5): -0.09
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.49
    ACD/LogD (pH 7.4): 1.61
    ACD/BCF (pH 7.4): 6.18
    ACD/KOC (pH 7.4): 74.58
    Polar Surface Area: 67 Å2
    Polarizability: 27.8±0.5 10-24cm3
    Surface Tension: 38.0±3.0 dyne/cm
    Molar Volume: 232.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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