ChemSpider 2D Image | 2,2'-(5-Nitro-5-propyldihydropyrimidine-1,3(2H,4H)-diyl)diacetic acid | C11H19N3O6

2,2'-(5-Nitro-5-propyldihydropyrimidine-1,3(2H,4H)-diyl)diacetic acid

  • Molecular FormulaC11H19N3O6
  • Average mass289.285 Da
  • Monoisotopic mass289.127380 Da
  • ChemSpider ID64845101

More details:

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

1,3(2H,4H)-Pyrimidinediacetic acid, dihydro-5-nitro-5-propyl- [ACD/Index Name]
2,2'-(5-Nitro-5-propyldihydropyrimidin-1,3(2H,4H)-diyl)diessigsäure [German] [ACD/IUPAC Name]
2,2'-(5-Nitro-5-propyldihydropyrimidine-1,3(2H,4H)-diyl)diacetic acid [ACD/IUPAC Name]
Acide 2,2'-(5-nitro-5-propyldihydropyrimidine-1,3(2H,4H)-diyl)diacétique [French] [ACD/IUPAC Name]
2-[3-(carboxymethyl)-5-nitro-5-propyl-1,3-diazinan-1-yl]acetic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 494.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.4±6.0 kJ/mol
Flash Point: 252.9±28.7 °C
Index of Refraction: 1.574
Molar Refractivity: 68.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): -1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 68.3±5.0 dyne/cm
Molar Volume: 206.3±5.0 cm3

Click to predict properties on the Chemicalize site


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