ChemSpider 2D Image | 4-[2-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]benzonitrile | C22H22N2O3

4-[2-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]benzonitrile

  • Molecular FormulaC22H22N2O3
  • Average mass362.422 Da
  • Monoisotopic mass362.163055 Da
  • ChemSpider ID21400074

More details:

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

4-(2-(1,4-Dioxa-8-azaspiro[4.5]decan-8-ylmethyl)benzoyl)benzonitrile
4-[2-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]benzonitril [German] [ACD/IUPAC Name]
4-[2-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]benzonitrile [ACD/IUPAC Name]
4-[2-(1,4-Dioxa-8-azaspiro[4.5]déc-8-ylméthyl)benzoyl]benzonitrile [French] [ACD/IUPAC Name]
898755-87-8 [RN]
Benzonitrile, 4-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]- [ACD/Index Name]
4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)benzoyl]benzonitrile
4-{2-[(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)methyl]benzoyl}benzonitrile
4'-cyano-2-[8-(1,4-dioxa-8-azaspiro[4.5]decyl )methyl ]benzophenone
4'-cyano-2-[8-(1,4-dioxa-8-azaspiro[4.5]decyl)methyl]benzophenone
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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: 566.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 296.5±30.1 °C
Index of Refraction: 1.629
Molar Refractivity: 101.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.91
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 1.80
ACD/KOC (pH 5.5): 8.05
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 55.40
ACD/KOC (pH 7.4): 247.46
Polar Surface Area: 63 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 60.4±5.0 dyne/cm
Molar Volume: 284.6±5.0 cm3

Click to predict properties on the Chemicalize site


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