ChemSpider 2D Image | tert-Butyl 3-(3-(benzyloxy)phenyl)azetidine-1-carboxylate | C21H25NO3

tert-Butyl 3-(3-(benzyloxy)phenyl)azetidine-1-carboxylate

  • Molecular FormulaC21H25NO3
  • Average mass339.428 Da
  • Monoisotopic mass339.183441 Da
  • ChemSpider ID28536837

More details:

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

1-Azetidinecarboxylic acid, 3-[3-(phenylmethoxy)phenyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-[3-(benzyloxy)phenyl]-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-[3-(benzyloxy)phenyl]-1-azetidincarboxylat [German] [ACD/IUPAC Name]
3-[3-(Benzyloxy)phényl]-1-azétidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
916900-30-6 [RN]
tert-Butyl 3-(3-(benzyloxy)phenyl)azetidine-1-carboxylate
[916900-30-6] [RN]
MFCD20528752 [MDL number]
tert-Butyl 3-[3-(benzyloxy)phenyl]azetidine-1-carboxylate
TERT-BUTYL-3-(3-(BENZYLOXY)PHENYL)AZETIDINE-1-CARBOXYLATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 462.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 233.7±28.7 °C
Index of Refraction: 1.570
Molar Refractivity: 97.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 1271.94
ACD/KOC (pH 5.5): 5804.64
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 1271.94
ACD/KOC (pH 7.4): 5804.64
Polar Surface Area: 39 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 298.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement