ChemSpider 2D Image | (5S)-7-Benzyl-2,7-diazaspiro[4.4]nonan-3-one | C14H18N2O

(5S)-7-Benzyl-2,7-diazaspiro[4.4]nonan-3-one

  • Molecular FormulaC14H18N2O
  • Average mass230.305 Da
  • Monoisotopic mass230.141907 Da
  • ChemSpider ID32807776

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S)-7-Benzyl-2,7-diazaspiro[4.4]nonan-3-on [German] [ACD/IUPAC Name]
(5S)-7-Benzyl-2,7-diazaspiro[4.4]nonan-3-one [ACD/IUPAC Name]
(5S)-7-Benzyl-2,7-diazaspiro[4.4]nonan-3-one [French] [ACD/IUPAC Name]
2,7-Diazaspiro[4.4]nonan-3-one, 7-(phenylmethyl)-, (5S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 418.5±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.2±3.0 kJ/mol
Flash Point: 206.9±26.8 °C
Index of Refraction: 1.605
Molar Refractivity: 67.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.36
ACD/LogD (pH 5.5): -1.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.38
Polar Surface Area: 32 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 50.4±5.0 dyne/cm
Molar Volume: 195.6±5.0 cm3

Click to predict properties on the Chemicalize site


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