ChemSpider 2D Image | (3R)-1,2-Bis{[(2-methyl-2-propanyl)oxy]carbonyl}hexahydro-3-pyridazinecarboxylic acid | C15H26N2O6

(3R)-1,2-Bis{[(2-methyl-2-propanyl)oxy]carbonyl}hexahydro-3-pyridazinecarboxylic acid

  • Molecular FormulaC15H26N2O6
  • Average mass330.377 Da
  • Monoisotopic mass330.179077 Da
  • ChemSpider ID26568175
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3R)-1,2-Bis{[(2-methyl-2-propanyl)oxy]carbonyl}hexahydro-3-pyridazincarbonsäure [German] [ACD/IUPAC Name]
(3R)-1,2-Bis{[(2-methyl-2-propanyl)oxy]carbonyl}hexahydro-3-pyridazinecarboxylic acid [ACD/IUPAC Name]
1,2,3-Pyridazinetricarboxylic acid, tetrahydro-, 1,2-bis(1,1-dimethylethyl) ester, (3R)- [ACD/Index Name]
Acide (3R)-1,2-bis{[(2-méthyl-2-propanyl)oxy]carbonyl}hexahydro-3-pyridazinecarboxylique [French] [ACD/IUPAC Name]
(3R)-1,2-bis[(tert-butoxy)carbonyl]-1,2-diazinane-3-carboxylic acid
(R)-1,2-bis(tert-butoxycarbonyl)hexahydropyridazine-3-carboxylic acid
146232-51-1 [RN]
CS-15195
MFCD30474644

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.2±0.1 g/cm3
    Boiling Point: 422.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 74.2±6.0 kJ/mol
    Flash Point: 209.0±31.5 °C
    Index of Refraction: 1.503
    Molar Refractivity: 81.3±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.20
    ACD/LogD (pH 5.5): -0.20
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.91
    ACD/LogD (pH 7.4): -1.84
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 96 Å2
    Polarizability: 32.2±0.5 10-24cm3
    Surface Tension: 46.3±3.0 dyne/cm
    Molar Volume: 275.2±3.0 cm3

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