ChemSpider 2D Image | tert-Butyl 3-(4-chlorobutanoylamino)azetidine-1-carboxylate | C12H21ClN2O3

tert-Butyl 3-(4-chlorobutanoylamino)azetidine-1-carboxylate

  • Molecular FormulaC12H21ClN2O3
  • Average mass276.760 Da
  • Monoisotopic mass276.124084 Da
  • ChemSpider ID27473466

More details:

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

1257294-06-6 [RN]
1-Azetidinecarboxylic acid, 3-[(4-chloro-1-oxobutyl)amino]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-[(4-chlorobutanoyl)amino]-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-[(4-chlorbutanoyl)amino]-1-azetidincarboxylat [German] [ACD/IUPAC Name]
3-[(4-Chlorobutanoyl)amino]-1-azétidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 3-(4-chlorobutanoylamino)azetidine-1-carboxylate
MFCD22123278 [MDL number]
tert-Butyl 3-(4-chlorobutanoylamino)-azetidine-1-carboxylate
tert-Butyl3-(4-chlorobutanoylamino)azetidine-1-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 434.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.1±3.0 kJ/mol
Flash Point: 216.8±28.7 °C
Index of Refraction: 1.506
Molar Refractivity: 69.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.49
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 10.07
ACD/KOC (pH 5.5): 181.79
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 10.07
ACD/KOC (pH 7.4): 181.79
Polar Surface Area: 59 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 42.2±5.0 dyne/cm
Molar Volume: 235.2±5.0 cm3

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