ChemSpider 2D Image | 3-[4-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]benzonitrile | C22H22N2O3

3-[4-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]benzonitrile

  • Molecular FormulaC22H22N2O3
  • Average mass362.422 Da
  • Monoisotopic mass362.163055 Da
  • ChemSpider ID21399165

More details:

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

3-(4-(1,4-Dioxa-8-azaspiro[4.5]decan-8-ylmethyl)benzoyl)benzonitrile
3-[4-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]benzonitril [German] [ACD/IUPAC Name]
3-[4-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]benzonitrile [ACD/IUPAC Name]
3-[4-(1,4-Dioxa-8-azaspiro[4.5]déc-8-ylméthyl)benzoyl]benzonitrile [French] [ACD/IUPAC Name]
898757-61-4 [RN]
Benzonitrile, 3-[4-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)benzoyl]- [ACD/Index Name]
3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)benzoyl]benzonitrile
3-{4-[(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)methyl]benzoyl}benzonitrile
3-cyano-4'-[8-(1,4-dioxa-8-azaspiro[4.5]decyl)methyl]benzophenone
3-cyano-4-[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: 537.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 278.6±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: 5.87
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 2.09
ACD/KOC (pH 5.5): 9.66
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 84.22
ACD/KOC (pH 7.4): 389.80
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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