ChemSpider 2D Image | Methyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-N-octyl-beta-alaninate | C17H33NO4

Methyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-N-octyl-β-alaninate

  • Molecular FormulaC17H33NO4
  • Average mass315.448 Da
  • Monoisotopic mass315.240967 Da
  • ChemSpider ID34452194

More details:






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

Methyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-N-octyl-β-alaninate [ACD/IUPAC Name]
Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-N-octyl-β-alaninat [German] [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-N-octyl-β-alaninate de méthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-N-octyl-, methyl ester [ACD/Index Name]
1823259-00-2 [RN]
methyl 3-((tert-butoxycarbonyl)(octyl)amino)propanoate
methyl 3-(tert-butoxycarbonyl(octyl)amino)propanoate
Methyl 3-(tert-butoxycarbonyl-(octyl)amino)propanoate
MFCD26405692

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 388.5±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.8±3.0 kJ/mol
Flash Point: 188.8±22.1 °C
Index of Refraction: 1.457
Molar Refractivity: 88.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 6610.64
ACD/KOC (pH 5.5): 18885.20
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 6610.64
ACD/KOC (pH 7.4): 18885.20
Polar Surface Area: 56 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 33.6±3.0 dyne/cm
Molar Volume: 323.4±3.0 cm3

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