ChemSpider 2D Image | Methyl 2-{[2-methyl-2-(4-morpholinyl)propyl]amino}-3,5-dinitrobenzoate | C16H22N4O7

Methyl 2-{[2-methyl-2-(4-morpholinyl)propyl]amino}-3,5-dinitrobenzoate

  • Molecular FormulaC16H22N4O7
  • Average mass382.368 Da
  • Monoisotopic mass382.148834 Da
  • ChemSpider ID34310068

More details:

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

2-{[2-Méthyl-2-(4-morpholinyl)propyl]amino}-3,5-dinitrobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[2-methyl-2-(4-morpholinyl)propyl]amino]-3,5-dinitro-, methyl ester [ACD/Index Name]
Methyl 2-{[2-methyl-2-(4-morpholinyl)propyl]amino}-3,5-dinitrobenzoate [ACD/IUPAC Name]
Methyl-2-{[2-methyl-2-(4-morpholinyl)propyl]amino}-3,5-dinitrobenzoat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 535.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 277.9±30.1 °C
Index of Refraction: 1.600
Molar Refractivity: 95.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 7.69
ACD/KOC (pH 5.5): 61.49
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 138.09
ACD/KOC (pH 7.4): 1103.74
Polar Surface Area: 142 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 61.2±3.0 dyne/cm
Molar Volume: 280.2±3.0 cm3

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