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Search term: MF = 'C_{17}H_{12}N_{2}'
ChemSpider 2D Image | 3-(1-Isoquinolinylmethyl)benzonitrile | C17H12N2

3-(1-Isoquinolinylmethyl)benzonitrile

  • Molecular FormulaC17H12N2
  • Average mass244.291 Da
  • Monoisotopic mass244.100052 Da
  • ChemSpider ID30774568

More details:

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

3-(1-Isochinolinylmethyl)benzonitril [German] [ACD/IUPAC Name]
3-(1-Isoquinoléinylméthyl)benzonitrile [French] [ACD/IUPAC Name]
3-(1-Isoquinolinylmethyl)benzonitrile [ACD/IUPAC Name]
3-(Isoquinolin-1-ylmethyl)benzonitrile
83584-42-3 [RN]
Benzonitrile, 3-(1-isoquinolinylmethyl)- [ACD/Index Name]
3-[(ISOQUINOLIN-1-YL)METHYL]BENZONITRILE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 432.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.9±3.0 kJ/mol
Flash Point: 141.0±8.3 °C
Index of Refraction: 1.672
Molar Refractivity: 76.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 406.08
ACD/KOC (pH 5.5): 2250.79
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 637.23
ACD/KOC (pH 7.4): 3531.96
Polar Surface Area: 37 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 203.1±5.0 cm3

Click to predict properties on the Chemicalize site


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