ChemSpider 2D Image | 3-{[(3,3-Dimethylcyclohexyl)carbonyl](3-ethoxypropyl)amino}-2-methylpropanoic acid | C18H33NO4

3-{[(3,3-Dimethylcyclohexyl)carbonyl](3-ethoxypropyl)amino}-2-methylpropanoic acid

  • Molecular FormulaC18H33NO4
  • Average mass327.459 Da
  • Monoisotopic mass327.240967 Da
  • ChemSpider ID57974717

More details:

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

3-{[(3,3-Dimethylcyclohexyl)carbonyl](3-ethoxypropyl)amino}-2-methylpropanoic acid [ACD/IUPAC Name]
3-{[(3,3-Dimethylcyclohexyl)carbonyl](3-ethoxypropyl)amino}-2-methylpropansäure [German] [ACD/IUPAC Name]
Acide 3-{[(3,3-diméthylcyclohexyl)carbonyl](3-éthoxypropyl)amino}-2-méthylpropanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[[(3,3-dimethylcyclohexyl)carbonyl](3-ethoxypropyl)amino]-2-methyl- [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: 473.8±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 80.7±6.0 kJ/mol
Flash Point: 240.3±26.8 °C
Index of Refraction: 1.482
Molar Refractivity: 90.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 8.75
ACD/KOC (pH 5.5): 70.36
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.18
Polar Surface Area: 67 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 316.8±3.0 cm3

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