ChemSpider 2D Image | Methyl {4-[(2-amino-3-hydroxybutyl)amino]-5-bromo-6-oxo-1(6H)-pyridazinyl}acetate | C11H17BrN4O4

Methyl {4-[(2-amino-3-hydroxybutyl)amino]-5-bromo-6-oxo-1(6H)-pyridazinyl}acetate

  • Molecular FormulaC11H17BrN4O4
  • Average mass349.181 Da
  • Monoisotopic mass348.043304 Da
  • ChemSpider ID42840000

More details:

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

{4-[(2-Amino-3-hydroxybutyl)amino]-5-bromo-6-oxo-1(6H)-pyridazinyl}acétate de méthyle [French] [ACD/IUPAC Name]
1(6H)-Pyridazineacetic acid, 4-[(2-amino-3-hydroxybutyl)amino]-5-bromo-6-oxo-, methyl ester [ACD/Index Name]
Methyl {4-[(2-amino-3-hydroxybutyl)amino]-5-bromo-6-oxo-1(6H)-pyridazinyl}acetate [ACD/IUPAC Name]
Methyl-{4-[(2-amino-3-hydroxybutyl)amino]-5-brom-6-oxo-1(6H)-pyridazinyl}acetat [German] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 484.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.4±6.0 kJ/mol
Flash Point: 247.0±31.5 °C
Index of Refraction: 1.630
Molar Refractivity: 73.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.60
ACD/LogD (pH 5.5): -3.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 117 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 56.9±7.0 dyne/cm
Molar Volume: 207.4±7.0 cm3

Click to predict properties on the Chemicalize site


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