ChemSpider 2D Image | [4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-chloro-5-methoxy-4-(3-methylbutoxy)benzoate | C19H26ClN5O4

[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-chloro-5-methoxy-4-(3-methylbutoxy)benzoate

  • Molecular FormulaC19H26ClN5O4
  • Average mass423.894 Da
  • Monoisotopic mass423.167328 Da
  • ChemSpider ID22562531

More details:

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

[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-chloro-5-methoxy-4-(3-methylbutoxy)benzoate [ACD/IUPAC Name]
[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-3-chlor-5-methoxy-4-(3-methylbutoxy)benzoat [German] [ACD/IUPAC Name]
3-Chloro-5-méthoxy-4-(3-méthylbutoxy)benzoate de [4-amino-6-(diméthylamino)-1,3,5-triazin-2-yl]méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-chloro-5-methoxy-4-(3-methylbutoxy)-, [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 626.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 332.8±34.3 °C
Index of Refraction: 1.585
Molar Refractivity: 112.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 177.87
ACD/KOC (pH 5.5): 1403.41
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 185.21
ACD/KOC (pH 7.4): 1461.27
Polar Surface Area: 113 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 334.3±3.0 cm3

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