ChemSpider 2D Image | 5-(3-((tert-Butoxycarbonyl)amino)phenyl)isoxazole-3-carboxylic acid | C15H16N2O5

5-(3-((tert-Butoxycarbonyl)amino)phenyl)isoxazole-3-carboxylic acid

  • Molecular FormulaC15H16N2O5
  • Average mass304.298 Da
  • Monoisotopic mass304.105927 Da
  • ChemSpider ID24620767

More details:

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

1263283-70-0 [RN]
3-Isoxazolecarboxylic acid, 5-[3-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl]- [ACD/Index Name]
5-(3-((tert-Butoxycarbonyl)amino)phenyl)isoxazole-3-carboxylic acid
5-[3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)phenyl]-1,2-oxazol-3-carbonsäure [German] [ACD/IUPAC Name]
5-[3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)phenyl]-1,2-oxazole-3-carboxylic acid [ACD/IUPAC Name]
5-[3-[[(1,1-Dimethylethoxy)carbonyl]amino]phenyl]-3-isoxazolecarboxylic acid
Acide 5-[3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)phényl]-1,2-oxazole-3-carboxylique [French] [ACD/IUPAC Name]
[1263283-70-0] [RN]
3-(benzylamino)propanol;3-Benzylamino-propan-1-ol;N-Benzyl-N-(3-hydroxypropyl)amine;N-Benzyl-3-aminopropanol;3-(Benzylamino)-1-propanol
5-(3-(tert-butoxycarbonylamino)phenyl)isoxazole-3-carboxylic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 479.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 243.6±27.3 °C
Index of Refraction: 1.587
Molar Refractivity: 78.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 1.21
ACD/KOC (pH 5.5): 9.79
ACD/LogD (pH 7.4): 0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.08
Polar Surface Area: 102 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 232.3±3.0 cm3

Click to predict properties on the Chemicalize site


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