ChemSpider 2D Image | 2-[Benzyl(methyl)amino]isonicotinonitrile | C14H13N3

2-[Benzyl(methyl)amino]isonicotinonitrile

  • Molecular FormulaC14H13N3
  • Average mass223.273 Da
  • Monoisotopic mass223.110947 Da
  • ChemSpider ID24013785

More details:

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

2-[Benzyl(methyl)amino]isonicotinonitril [German] [ACD/IUPAC Name]
2-[Benzyl(methyl)amino]isonicotinonitrile [ACD/IUPAC Name]
2-[Benzyl(méthyl)amino]isonicotinonitrile [French] [ACD/IUPAC Name]
4-Pyridinecarbonitrile, 2-[methyl(phenylmethyl)amino]- [ACD/Index Name]
2-(benzyl(methyl)amino)isonicotinonitrile
2-[Benzyl(methyl)amino]pyridine-4-carbonitrile
501378-53-6 [RN]
MFCD09933353 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 387.7±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.7±3.0 kJ/mol
Flash Point: 188.3±26.5 °C
Index of Refraction: 1.613
Molar Refractivity: 67.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 42.17
ACD/KOC (pH 5.5): 447.89
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 64.67
ACD/KOC (pH 7.4): 686.87
Polar Surface Area: 40 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 192.4±5.0 cm3

Click to predict properties on the Chemicalize site


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