ChemSpider 2D Image | AC-262536 | C18H18N2O

AC-262536

  • Molecular FormulaC18H18N2O
  • Average mass278.348 Da
  • Monoisotopic mass278.141907 Da
  • ChemSpider ID31129035
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

1-Naphthalenecarbonitrile, 4-[(3-endo)-3-hydroxy-8-azabicyclo[3.2.1]oct-8-yl]- [ACD/Index Name]
4-[(3-endo)-3-Hydroxy-8-azabicyclo[3.2.1]oct-8-yl]-1-naphthonitril [German] [ACD/IUPAC Name]
4-[(3-endo)-3-Hydroxy-8-azabicyclo[3.2.1]oct-8-yl]-1-naphthonitrile [ACD/IUPAC Name]
4-[(3-endo)-3-Hydroxy-8-azabicyclo[3.2.1]oct-8-yl]-1-naphtonitrile [French] [ACD/IUPAC Name]
AC-262536
870888-46-3 [RN]
UNII:U8VS41J5O6

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

Density: 1.3±0.1 g/cm3
Boiling Point: 526.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 271.9±28.7 °C
Index of Refraction: 1.688
Molar Refractivity: 82.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 135.65
ACD/KOC (pH 5.5): 1142.01
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 147.31
ACD/KOC (pH 7.4): 1240.22
Polar Surface Area: 47 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 65.1±5.0 dyne/cm
Molar Volume: 216.5±5.0 cm3

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