ChemSpider 2D Image | 2-Methyl-2-propanyl 3-(2-{[2-(dimethylamino)-2-oxoethyl](propyl)amino}-2-oxoethoxy)-1-azetidinecarboxylate | C17H31N3O5

2-Methyl-2-propanyl 3-(2-{[2-(dimethylamino)-2-oxoethyl](propyl)amino}-2-oxoethoxy)-1-azetidinecarboxylate

  • Molecular FormulaC17H31N3O5
  • Average mass357.445 Da
  • Monoisotopic mass357.226379 Da
  • ChemSpider ID30276833

More details:

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

1-Azetidinecarboxylic acid, 3-[2-[[2-(dimethylamino)-2-oxoethyl]propylamino]-2-oxoethoxy]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-(2-{[2-(dimethylamino)-2-oxoethyl](propyl)amino}-2-oxoethoxy)-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(2-{[2-(dimethylamino)-2-oxoethyl](propyl)amino}-2-oxoethoxy)-1-azetidincarboxylat [German] [ACD/IUPAC Name]
3-(2-{[2-(Diméthylamino)-2-oxoéthyl](propyl)amino}-2-oxoéthoxy)-1-azétidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
TERT-BUTYL 3-({[(DIMETHYLCARBAMOYL)METHYL](PROPYL)CARBAMOYL}METHOXY)AZETIDINE-1-CARBOXYLATE
TERT-BUTYL 3-{[(DIMETHYLCARBAMOYL)METHYL(PROPYL)CARBAMOYL]METHOXY}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: 483.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.9±3.0 kJ/mol
Flash Point: 246.2±28.7 °C
Index of Refraction: 1.513
Molar Refractivity: 94.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.53
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 2.98
ACD/KOC (pH 5.5): 75.97
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 2.98
ACD/KOC (pH 7.4): 75.97
Polar Surface Area: 79 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 313.3±5.0 cm3

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