ChemSpider 2D Image | 1-Azepanyl(phenyl)acetonitrile | C14H18N2

1-Azepanyl(phenyl)acetonitrile

  • Molecular FormulaC14H18N2
  • Average mass214.306 Da
  • Monoisotopic mass214.147003 Da
  • ChemSpider ID21800380

More details:






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

17766-41-5 [RN]
1-Azepanyl(phenyl)acetonitril [German] [ACD/IUPAC Name]
1-Azepanyl(phenyl)acetonitrile [ACD/IUPAC Name]
1-Azépanyl(phényl)acétonitrile [French] [ACD/IUPAC Name]
1H-Azepine-1-acetonitrile, hexahydro-α-phenyl- [ACD/Index Name]
Azepan-1-yl(phenyl)acetonitrile
[17766-41-5] [RN]
2-(Azepan-1-yl)-2-phenylacetonitrile
2-azaperhydroepinyl-2-phenylethanenitrile
azepan-1-yl(phenyl)acetonitrile(SALTDATA: FREE)

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

MFCD12026894 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 314.5±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.6±3.0 kJ/mol
Flash Point: 126.1±13.8 °C
Index of Refraction: 1.549
Molar Refractivity: 65.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 41.91
ACD/KOC (pH 5.5): 492.61
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 45.54
ACD/KOC (pH 7.4): 535.24
Polar Surface Area: 27 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 204.2±3.0 cm3

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