ChemSpider 2D Image | 3,4-Dibromo-N-methyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]dec-6-yl]benzamide | C18H24Br2N2O

3,4-Dibromo-N-methyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]dec-6-yl]benzamide

  • Molecular FormulaC18H24Br2N2O
  • Average mass444.204 Da
  • Monoisotopic mass442.025513 Da
  • ChemSpider ID23120785
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

3,4-Dibrom-N-methyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]dec-6-yl]benzamid [German] [ACD/IUPAC Name]
3,4-Dibromo-N-methyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]dec-6-yl]benzamide [ACD/IUPAC Name]
3,4-Dibromo-N-méthyl-N-[(5R,6S)-1-méthyl-1-azaspiro[4.5]déc-6-yl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 3,4-dibromo-N-methyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]dec-6-yl]- [ACD/Index Name]
3,4-Dibromo-N-methyl-N-(1-methyl-1-aza-spiro[4.5]dec-6-yl)-benzamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 522.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 269.9±30.1 °C
Index of Refraction: 1.629
Molar Refractivity: 101.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.94
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 5.14
ACD/KOC (pH 7.4): 25.70
Polar Surface Area: 24 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 285.7±5.0 cm3

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