ChemSpider 2D Image | 6-(((benzyloxy)carbonyl)amino)pyridazine-3-carboxylic acid | C13H11N3O4

6-(((benzyloxy)carbonyl)amino)pyridazine-3-carboxylic acid

  • Molecular FormulaC13H11N3O4
  • Average mass273.244 Da
  • Monoisotopic mass273.074951 Da
  • ChemSpider ID24605530

More details:

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

1197193-41-1 [RN]
3-Pyridazinecarboxylic acid, 6-[[(phenylmethoxy)carbonyl]amino]- [ACD/Index Name]
6-(((benzyloxy)carbonyl)amino)pyridazine-3-carboxylic acid
6-{[(Benzyloxy)carbonyl]amino}-3-pyridazincarbonsäure [German] [ACD/IUPAC Name]
6-{[(Benzyloxy)carbonyl]amino}-3-pyridazinecarboxylic acid [ACD/IUPAC Name]
6-{[(Benzyloxy)carbonyl]amino}pyridazine-3-carboxylic acid
Acide 6-{[(benzyloxy)carbonyl]amino}-3-pyridazinecarboxylique [French] [ACD/IUPAC Name]
(R)-1,5-Dimethylpiperazin-2-one
[1197193-41-1] [RN]
54127-63-8 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 502.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.3±3.0 kJ/mol
    Flash Point: 257.8±28.7 °C
    Index of Refraction: 1.663
    Molar Refractivity: 69.9±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.14
    ACD/LogD (pH 5.5): 0.08
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.07
    ACD/LogD (pH 7.4): -0.63
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 101 Å2
    Polarizability: 27.7±0.5 10-24cm3
    Surface Tension: 74.1±3.0 dyne/cm
    Molar Volume: 188.6±3.0 cm3

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