ChemSpider 2D Image | tert-Butyl 3-(bromomethyl)-1-azetidinecarboxylate | C9H16BrNO2

tert-Butyl 3-(bromomethyl)-1-azetidinecarboxylate

  • Molecular FormulaC9H16BrNO2
  • Average mass250.133 Da
  • Monoisotopic mass249.036438 Da
  • ChemSpider ID24723210

More details:

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

1-Azetidinecarboxylic acid, 3-(bromomethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
253176-93-1 [RN]
2-Methyl-2-propanyl 3-(bromomethyl)-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(brommethyl)-1-azetidincarboxylat [German] [ACD/IUPAC Name]
3-(Bromométhyl)-1-azétidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
MFCD16556174 [MDL number]
tert-Butyl 3-(bromomethyl)-1-azetidinecarboxylate
tert-Butyl 3-(bromomethyl)azetidine-1-carboxylate
[253176-93-1] [RN]
13098-39-0 [RN]
More...
  • Miscellaneous

    • Safety:

      26-37-60 Alfa Aesar H57492
      36/37/38 Alfa Aesar H57492
      H315-H319-H335 Alfa Aesar H57492
      P261-P280-P305+P351+P338-P304+P340-P405-P501a Alfa Aesar H57492
      Warning Alfa Aesar H57492

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

Density: 1.4±0.1 g/cm3
Boiling Point: 281.2±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.0±3.0 kJ/mol
Flash Point: 123.8±19.8 °C
Index of Refraction: 1.507
Molar Refractivity: 54.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.70
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 44.85
ACD/KOC (pH 5.5): 529.59
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 44.85
ACD/KOC (pH 7.4): 529.59
Polar Surface Area: 30 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 183.5±3.0 cm3

Click to predict properties on the Chemicalize site


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