ChemSpider 2D Image | Methyl 2-[(dimethylamino)methylene]-3-oxobutanoate | C8H13NO3

Methyl 2-[(dimethylamino)methylene]-3-oxobutanoate

  • Molecular FormulaC8H13NO3
  • Average mass171.194 Da
  • Monoisotopic mass171.089539 Da
  • ChemSpider ID23351258

More details:

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

2-[(Diméthylamino)méthylène]-3-oxobutanoate de méthyle [French] [ACD/IUPAC Name]
51559-52-5 [RN]
Butanoic acid, 2-[(dimethylamino)methylene]-3-oxo-, methyl ester [ACD/Index Name]
Methyl 2-[(dimethylamino)methylene]-3-oxobutanoate [ACD/IUPAC Name]
Methyl-2-[(dimethylamino)methylen]-3-oxobutanoat [German] [ACD/IUPAC Name]
203186-56-5 [RN]
methyl 2-((dimethylamino)methylene)-3-oxobutanoate
Methyl 2-[(dimethylamino)methylene]acetoacetate
Methyl 2-[(dimethylamino)methylidene]-3-oxobutanoate
Methyl 2-acetyl-3-(dimethylamino)acrylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 227.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.4±3.0 kJ/mol
Flash Point: 91.2±24.6 °C
Index of Refraction: 1.462
Molar Refractivity: 44.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.03
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.09
ACD/KOC (pH 5.5): 37.02
ACD/LogD (pH 7.4): 0.36
ACD/BCF (pH 7.4): 1.10
ACD/KOC (pH 7.4): 37.29
Polar Surface Area: 47 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 33.5±3.0 dyne/cm
Molar Volume: 161.9±3.0 cm3

Click to predict properties on the Chemicalize site


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