ChemSpider 2D Image | 16-{[(2-Methyl-2-propanyl)carbamoyl]amino}hexadecanoic acid | C21H42N2O3

16-{[(2-Methyl-2-propanyl)carbamoyl]amino}hexadecanoic acid

  • Molecular FormulaC21H42N2O3
  • Average mass370.570 Da
  • Monoisotopic mass370.319550 Da
  • ChemSpider ID58114364

More details:

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

16-{[(2-Methyl-2-propanyl)carbamoyl]amino}hexadecanoic acid [ACD/IUPAC Name]
16-{[(2-Methyl-2-propanyl)carbamoyl]amino}hexadecansäure [German] [ACD/IUPAC Name]
Acide 16-{[(2-méthyl-2-propanyl)carbamoyl]amino}hexadécanoïque [French] [ACD/IUPAC Name]
Hexadecanoic acid, 16-[[[(1,1-dimethylethyl)amino]carbonyl]amino]- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 544.2±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 90.0±6.0 kJ/mol
Flash Point: 282.9±22.6 °C
Index of Refraction: 1.474
Molar Refractivity: 108.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 6.08
ACD/LogD (pH 5.5): 4.88
ACD/BCF (pH 5.5): 1922.89
ACD/KOC (pH 5.5): 4634.23
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 30.85
ACD/KOC (pH 7.4): 74.34
Polar Surface Area: 78 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 384.6±3.0 cm3

Click to predict properties on the Chemicalize site


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