ChemSpider 2D Image | N-(3-Chloro-4-methoxyphenyl)-4-[(dimethylamino)methyl]-4-hydroxy-1-azepanecarboxamide | C17H26ClN3O3

N-(3-Chloro-4-methoxyphenyl)-4-[(dimethylamino)methyl]-4-hydroxy-1-azepanecarboxamide

  • Molecular FormulaC17H26ClN3O3
  • Average mass355.860 Da
  • Monoisotopic mass355.166260 Da
  • ChemSpider ID29533114

More details:

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

1H-Azepine-1-carboxamide, N-(3-chloro-4-methoxyphenyl)-4-[(dimethylamino)methyl]hexahydro-4-hydroxy- [ACD/Index Name]
N-(3-Chlor-4-methoxyphenyl)-4-[(dimethylamino)methyl]-4-hydroxy-1-azepancarboxamid [German] [ACD/IUPAC Name]
N-(3-Chloro-4-methoxyphenyl)-4-[(dimethylamino)methyl]-4-hydroxy-1-azepanecarboxamide [ACD/IUPAC Name]
N-(3-Chloro-4-méthoxyphényl)-4-[(diméthylamino)méthyl]-4-hydroxy-1-azépanecarboxamide [French] [ACD/IUPAC Name]
N-(3-CHLORO-4-METHOXYPHENYL)-4-[(DIMETHYLAMINO)METHYL]-4-HYDROXYAZEPANE-1-CARBOXAMIDE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 534.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 276.9±30.1 °C
Index of Refraction: 1.583
Molar Refractivity: 95.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.51
ACD/LogD (pH 5.5): -0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.98
Polar Surface Area: 65 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 286.5±3.0 cm3

Click to predict properties on the Chemicalize site


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