ChemSpider 2D Image | 3-[2-(6-Amino-4-methyl-2-pyridinyl)ethyl]-5-{[2-(2-pyridinyl)ethyl]amino}benzonitrile | C22H23N5

3-[2-(6-Amino-4-methyl-2-pyridinyl)ethyl]-5-{[2-(2-pyridinyl)ethyl]amino}benzonitrile

  • Molecular FormulaC22H23N5
  • Average mass357.452 Da
  • Monoisotopic mass357.195343 Da
  • ChemSpider ID35034374

More details:

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

3-[2-(6-Amino-4-methyl-2-pyridinyl)ethyl]-5-{[2-(2-pyridinyl)ethyl]amino}benzonitril [German] [ACD/IUPAC Name]
3-[2-(6-Amino-4-methyl-2-pyridinyl)ethyl]-5-{[2-(2-pyridinyl)ethyl]amino}benzonitrile [ACD/IUPAC Name]
3-[2-(6-Amino-4-méthyl-2-pyridinyl)éthyl]-5-{[2-(2-pyridinyl)éthyl]amino}benzonitrile [French] [ACD/IUPAC Name]
3-[2-(6-Amino-4-Methylpyridin-2-Yl)ethyl]-5-{[2-(Pyridin-2-Yl)ethyl]amino}benzonitrile
Benzonitrile, 3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-[[2-(2-pyridinyl)ethyl]amino]- [ACD/Index Name]
SK6

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

Density: 1.2±0.1 g/cm3
Boiling Point: 585.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 307.7±30.1 °C
Index of Refraction: 1.639
Molar Refractivity: 106.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 4.47
ACD/KOC (pH 5.5): 27.40
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 220.39
ACD/KOC (pH 7.4): 1352.26
Polar Surface Area: 88 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 65.3±5.0 dyne/cm
Molar Volume: 296.6±5.0 cm3

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