ChemSpider 2D Image | 1-(1-Azepanyl)-3-{4-chloro-2-[(cyclopentylamino)methyl]phenoxy}-2-propanol | C21H33ClN2O2

1-(1-Azepanyl)-3-{4-chloro-2-[(cyclopentylamino)methyl]phenoxy}-2-propanol

  • Molecular FormulaC21H33ClN2O2
  • Average mass380.952 Da
  • Monoisotopic mass380.223053 Da
  • ChemSpider ID22152832

More details:

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

1-(1-Azepanyl)-3-{4-chlor-2-[(cyclopentylamino)methyl]phenoxy}-2-propanol [German] [ACD/IUPAC Name]
1-(1-Azepanyl)-3-{4-chloro-2-[(cyclopentylamino)methyl]phenoxy}-2-propanol [ACD/IUPAC Name]
1-(1-Azépanyl)-3-{4-chloro-2-[(cyclopentylamino)méthyl]phénoxy}-2-propanol [French] [ACD/IUPAC Name]
1H-Azepine-1-ethanol, α-[[4-chloro-2-[(cyclopentylamino)methyl]phenoxy]methyl]hexahydro- [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: 538.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 279.5±30.1 °C
Index of Refraction: 1.573
Molar Refractivity: 107.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.26
Polar Surface Area: 45 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 49.8±5.0 dyne/cm
Molar Volume: 327.1±5.0 cm3

Click to predict properties on the Chemicalize site


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