ChemSpider 2D Image | 2-{[(6-Methyl-2-heptanyl)carbamoyl]amino}malonamide | C12H24N4O3

2-{[(6-Methyl-2-heptanyl)carbamoyl]amino}malonamide

  • Molecular FormulaC12H24N4O3
  • Average mass272.344 Da
  • Monoisotopic mass272.184845 Da
  • ChemSpider ID29975275

More details:

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

2-{[(6-Methyl-2-heptanyl)carbamoyl]amino}malonamid [German] [ACD/IUPAC Name]
2-{[(6-Methyl-2-heptanyl)carbamoyl]amino}malonamide [ACD/IUPAC Name]
2-{[(6-Méthyl-2-heptanyl)carbamoyl]amino}malonamide [French] [ACD/IUPAC Name]
Propanediamide, 2-[[[(1,5-dimethylhexyl)amino]carbonyl]amino]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 534.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 277.0±28.7 °C
Index of Refraction: 1.501
Molar Refractivity: 71.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.74
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 34.06
ACD/LogD (pH 7.4): 0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.80
Polar Surface Area: 127 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 244.1±3.0 cm3

Click to predict properties on the Chemicalize site


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