ChemSpider 2D Image | Ethyl 3-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]benzoate | C24H27NO5

Ethyl 3-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]benzoate

  • Molecular FormulaC24H27NO5
  • Average mass409.475 Da
  • Monoisotopic mass409.188934 Da
  • ChemSpider ID21400076

More details:

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

3-[2-(1,4-Dioxa-8-azaspiro[4.5]déc-8-ylméthyl)benzoyl]benzoate d'éthyle [French] [ACD/IUPAC Name]
898755-90-3 [RN]
Benzoic acid, 3-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]-, ethyl ester [ACD/Index Name]
Ethyl 3-(2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)benzoyl)benzoate
Ethyl 3-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]benzoate [ACD/IUPAC Name]
Ethyl-3-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]benzoat [German] [ACD/IUPAC Name]
3'-carboethoxy-2-[8-(1,4-dioxa-8-azaspiro[4.5]decyl)methyl]benzophenone
3'-Carboethoxy-2-[8-(1,4-dioxa-8-azaspiro-[4.5]decyl)methyl]benzophenone
ethyl 3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)benzoyl]benzoate
Ethyl 3-{2-[(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methyl]benzoyl}benzoate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 581.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 305.4±30.1 °C
Index of Refraction: 1.605
Molar Refractivity: 112.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.04
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 9.49
ACD/KOC (pH 5.5): 26.35
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 287.31
ACD/KOC (pH 7.4): 797.67
Polar Surface Area: 65 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 326.2±5.0 cm3

Click to predict properties on the Chemicalize site


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