ChemSpider 2D Image | N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-N-octyl-beta-alanine | C16H31NO4

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

  • Molecular FormulaC16H31NO4
  • Average mass301.422 Da
  • Monoisotopic mass301.225311 Da
  • ChemSpider ID65086278

More details:

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

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-N-octyl-β-alanin [German] [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-N-octyl-β-alanine [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-N-octyl-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-N-octyl- [ACD/Index Name]
1661041-29-7 [RN]
3-[(2-methylpropan-2-yl)oxycarbonyl-octylamino]propanoic acid
3-[tert-butoxycarbonyl(octyl)amino]propanoic acid
3-{[(t-Butoxy)carbonyl](octyl)amino}propanoic acid
3-{[(tert-butoxy)carbonyl](octyl)amino}propanoic acid
MFCD27957007

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

Density: 1.0±0.1 g/cm3
Boiling Point: 410.4±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 72.7±6.0 kJ/mol
Flash Point: 202.0±22.9 °C
Index of Refraction: 1.470
Molar Refractivity: 83.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 146.36
ACD/KOC (pH 5.5): 536.80
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 2.43
ACD/KOC (pH 7.4): 8.90
Polar Surface Area: 67 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 298.1±3.0 cm3

Click to predict properties on the Chemicalize site


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