ChemSpider 2D Image | N-(2-Furylmethyl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-beta-alanine | C13H19NO5

N-(2-Furylmethyl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-β-alanine

  • Molecular FormulaC13H19NO5
  • Average mass269.294 Da
  • Monoisotopic mass269.126312 Da
  • ChemSpider ID14118824

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

N-(2-Furylmethyl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-β-alanin [German] [ACD/IUPAC Name]
N-(2-Furylmethyl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-β-alanine [ACD/IUPAC Name]
N-(2-Furylméthyl)-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-N-(2-furanylmethyl)- [ACD/Index Name]
146033-29-6 [RN]
3-[(TERT-BUTOXYCARBONYL)(FURAN-2-YLMETHYL)AMINO]PROPANOIC ACID
3-{[(t-Butoxy)carbonyl][(furan-2-yl)methyl]amino}propanoic acid
3-{[(tert-butoxy)carbonyl](furan-2-ylmethyl)amino}propanoic acid
3-{[(tert-butoxy)carbonyl][(furan-2-yl)methyl]amino}propanoic acid
MFCD06761705
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 404.9±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.2±3.0 kJ/mol
Flash Point: 198.7±26.8 °C
Index of Refraction: 1.510
Molar Refractivity: 67.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.12
ACD/KOC (pH 5.5): 16.27
ACD/LogD (pH 7.4): -1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 226.0±3.0 cm3

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