ChemSpider 2D Image | 2B9X08DSJF | C19H22ClNO2

2B9X08DSJF

  • Molecular FormulaC19H22ClNO2
  • Average mass331.836 Da
  • Monoisotopic mass331.133911 Da
  • ChemSpider ID52084487

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-difencloxazine
2B9X08DSJF
4-{2-[(S)-(4-Chlorophenyl)(phenyl)methoxy]ethyl}morpholine [ACD/IUPAC Name]
4-{2-[(S)-(4-Chlorophényl)(phényl)méthoxy]éthyl}morpholine [French] [ACD/IUPAC Name]
4-{2-[(S)-(4-Chlorphenyl)(phenyl)methoxy]ethyl}morpholin [German] [ACD/IUPAC Name]
Morpholine, 4-[2-[(S)-(4-chlorophenyl)phenylmethoxy]ethyl]- [ACD/Index Name]
DIFENCLOXAZINE, (S)-
UNII:2B9X08DSJF

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

Density: 1.2±0.1 g/cm3
Boiling Point: 431.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.7±3.0 kJ/mol
Flash Point: 214.8±27.3 °C
Index of Refraction: 1.566
Molar Refractivity: 93.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 58.40
ACD/KOC (pH 5.5): 328.70
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 543.15
ACD/KOC (pH 7.4): 3057.33
Polar Surface Area: 22 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 285.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement