ChemSpider 2D Image | 2-Methyl-2-propanyl {[9-(4-bromophenyl)-1-oxa-4-azaspiro[5.5]undec-9-yl]oxy}acetate | C21H30BrNO4

2-Methyl-2-propanyl {[9-(4-bromophenyl)-1-oxa-4-azaspiro[5.5]undec-9-yl]oxy}acetate

  • Molecular FormulaC21H30BrNO4
  • Average mass440.371 Da
  • Monoisotopic mass439.135803 Da
  • ChemSpider ID74782549

More details:

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

{[9-(4-Bromophényl)-1-oxa-4-azaspiro[5.5]undéc-9-yl]oxy}acétate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {[9-(4-bromophenyl)-1-oxa-4-azaspiro[5.5]undec-9-yl]oxy}acetate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{[9-(4-bromphenyl)-1-oxa-4-azaspiro[5.5]undec-9-yl]oxy}acetat [German] [ACD/IUPAC Name]
Acetic acid, 2-[[9-(4-bromophenyl)-1-oxa-4-azaspiro[5.5]undec-9-yl]oxy]-, 1,1-dimethylethyl ester [ACD/Index Name]
2309475-89-4 [RN]
tert-butyl 2-{[9-(4-bromophenyl)-1-oxa-4-azaspiro[5.5]undecan-9-yl]oxy}acetate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 526.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 272.2±30.1 °C
Index of Refraction: 1.564
Molar Refractivity: 108.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 3.22
ACD/KOC (pH 5.5): 12.50
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 110.63
ACD/KOC (pH 7.4): 430.06
Polar Surface Area: 57 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 47.8±5.0 dyne/cm
Molar Volume: 334.7±5.0 cm3

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