ChemSpider 2D Image | 5-(Cyclohexylamino)-1-(4-methylpentyl)-2-azepanone | C18H34N2O

5-(Cyclohexylamino)-1-(4-methylpentyl)-2-azepanone

  • Molecular FormulaC18H34N2O
  • Average mass294.475 Da
  • Monoisotopic mass294.267120 Da
  • ChemSpider ID23063215

More details:

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

2H-Azepin-2-one, 5-(cyclohexylamino)hexahydro-1-(4-methylpentyl)- [ACD/Index Name]
5-(Cyclohexylamino)-1-(4-methylpentyl)-2-azepanon [German] [ACD/IUPAC Name]
5-(Cyclohexylamino)-1-(4-methylpentyl)-2-azepanone [ACD/IUPAC Name]
5-(Cyclohexylamino)-1-(4-méthylpentyl)-2-azépanone [French] [ACD/IUPAC Name]
5-(CYCLOHEXYLAMINO)-1-(4-METHYLPENTYL)AZEPAN-2-ONE

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

Density: 1.0±0.1 g/cm3
Boiling Point: 434.1±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 216.4±26.8 °C
Index of Refraction: 1.504
Molar Refractivity: 88.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.27
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 1.22
ACD/KOC (pH 7.4): 7.43
Polar Surface Area: 32 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 38.0±5.0 dyne/cm
Molar Volume: 300.3±5.0 cm3

Click to predict properties on the Chemicalize site


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