ChemSpider 2D Image | 4-Morpholinyl(phenyl)(~2~H)acetonitrile | C12H13DN2O

4-Morpholinyl(phenyl)(2H)acetonitrile

  • Molecular FormulaC12H13DN2O
  • Average mass203.258 Da
  • Monoisotopic mass203.116898 Da
  • ChemSpider ID9621881

  • Non-standard isotope - Non-standard isotope

More details:

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

4-Morpholineacetonitrile-d, α-phenyl- [ACD/Index Name]
4-Morpholinyl(phenyl)(2H)acetonitril [German] [ACD/IUPAC Name]
4-Morpholinyl(phenyl)(2H)acetonitrile [ACD/IUPAC Name]
4-Morpholinyl(phényl)(2H)acétonitrile [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 306.1±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.7±3.0 kJ/mol
Flash Point: 138.9±26.5 °C
Index of Refraction: 1.559
Molar Refractivity: 57.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.31
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 6.11
ACD/KOC (pH 5.5): 127.11
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 6.11
ACD/KOC (pH 7.4): 127.14
Polar Surface Area: 36 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 177.5±3.0 cm3

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