ChemSpider 2D Image | 2-Methyl-2-propanyl 7-(dimethylcarbamoyl)-4a-hydroxyoctahydro-2,7-naphthyridine-2(1H)-carboxylate | C16H29N3O4

2-Methyl-2-propanyl 7-(dimethylcarbamoyl)-4a-hydroxyoctahydro-2,7-naphthyridine-2(1H)-carboxylate

  • Molecular FormulaC16H29N3O4
  • Average mass327.419 Da
  • Monoisotopic mass327.215820 Da
  • ChemSpider ID45382941

More details:

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

2,7-Naphthyridine-2(1H)-carboxylic acid, 7-[(dimethylamino)carbonyl]octahydro-4a-hydroxy-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 7-(dimethylcarbamoyl)-4a-hydroxyoctahydro-2,7-naphthyridine-2(1H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-7-(dimethylcarbamoyl)-4a-hydroxyoctahydro-2,7-naphthyridin-2(1H)-carboxylat [German] [ACD/IUPAC Name]
7-(Diméthylcarbamoyl)-4a-hydroxyoctahydro-2,7-naphtyridine-2(1H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2096985-47-4 [RN]
MFCD29762519
t-Butyl 7-[(dimethylamino)carbonyl]-4a-hydroxyoctahydro-2,7-naphthyridine-2(1H)-carboxylate
tert-butyl 7-[(dimethylamino)carbonyl]-4a-hydroxyoctahydro-2,7-naphthyridine-2(1H)-carboxylate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 463.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 83.6±6.0 kJ/mol
    Flash Point: 234.1±28.7 °C
    Index of Refraction: 1.539
    Molar Refractivity: 85.9±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.85
    ACD/LogD (pH 5.5): 1.47
    ACD/BCF (pH 5.5): 7.69
    ACD/KOC (pH 5.5): 149.91
    ACD/LogD (pH 7.4): 1.47
    ACD/BCF (pH 7.4): 7.69
    ACD/KOC (pH 7.4): 149.91
    Polar Surface Area: 73 Å2
    Polarizability: 34.1±0.5 10-24cm3
    Surface Tension: 49.8±3.0 dyne/cm
    Molar Volume: 274.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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