ChemSpider 2D Image | 1-{1-[(tert-butoxy)carbonyl]azetidin-3-yl}-1H-1,2,3-triazole-4-carboxylic acid | C11H16N4O4

1-{1-[(tert-butoxy)carbonyl]azetidin-3-yl}-1H-1,2,3-triazole-4-carboxylic acid

  • Molecular FormulaC11H16N4O4
  • Average mass268.269 Da
  • Monoisotopic mass268.117157 Da
  • ChemSpider ID53623112

More details:

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

1-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-azetidinyl)-1H-1,2,3-triazol-4-carbonsäure [German] [ACD/IUPAC Name]
1-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-azetidinyl)-1H-1,2,3-triazole-4-carboxylic acid [ACD/IUPAC Name]
1-{1-[(tert-butoxy)carbonyl]azetidin-3-yl}-1H-1,2,3-triazole-4-carboxylic acid
1529035-77-5 [RN]
1H-1,2,3-Triazole-4-carboxylic acid, 1-[1-[(1,1-dimethylethoxy)carbonyl]-3-azetidinyl]- [ACD/Index Name]
Acide 1-(1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-3-azétidinyl)-1H-1,2,3-triazole-4-carboxylique [French] [ACD/IUPAC Name]
1-[1-(tert-butoxycarbonyl)azetidin-3-yl]-1H-1,2,3-triazole-4-carboxylic acid
MFCD21846305

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

Density: 1.5±0.1 g/cm3
Boiling Point: 467.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.8±3.0 kJ/mol
Flash Point: 236.4±31.5 °C
Index of Refraction: 1.634
Molar Refractivity: 66.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.16
ACD/LogD (pH 5.5): -1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 56.0±7.0 dyne/cm
Molar Volume: 184.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement