Found 2 results

Search term: XNCNOGXQUSHTJN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-(3-Hydroxy-2-methyl-4-oxo-1(4H)-pyridinyl)propyl 4-(dimethylamino)benzoate | C18H22N2O4

3-(3-Hydroxy-2-methyl-4-oxo-1(4H)-pyridinyl)propyl 4-(dimethylamino)benzoate

  • Molecular FormulaC18H22N2O4
  • Average mass330.378 Da
  • Monoisotopic mass330.157959 Da
  • ChemSpider ID95573825

More details:

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

3-(3-Hydroxy-2-methyl-4-oxo-1(4H)-pyridinyl)propyl 4-(dimethylamino)benzoate [ACD/IUPAC Name]
3-(3-Hydroxy-2-methyl-4-oxo-1(4H)-pyridinyl)propyl-4-(dimethylamino)benzoat [German] [ACD/IUPAC Name]
4-(Diméthylamino)benzoate de 3-(3-hydroxy-2-méthyl-4-oxo-1(4H)-pyridinyl)propyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(dimethylamino)-, 3-(3-hydroxy-2-methyl-4-oxo-1(4H)-pyridinyl)propyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 514.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 265.1±30.1 °C
Index of Refraction: 1.602
Molar Refractivity: 91.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 11.97
ACD/KOC (pH 5.5): 205.65
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 11.24
ACD/KOC (pH 7.4): 193.02
Polar Surface Area: 70 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 267.9±3.0 cm3

Click to predict properties on the Chemicalize site


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