ChemSpider 2D Image | 3-[(2-Cyano-4-pyridinyl)amino]-5,5-dimethylhexanoic acid | C14H19N3O2

3-[(2-Cyano-4-pyridinyl)amino]-5,5-dimethylhexanoic acid

  • Molecular FormulaC14H19N3O2
  • Average mass261.320 Da
  • Monoisotopic mass261.147736 Da
  • ChemSpider ID42268103

More details:






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

3-[(2-Cyan-4-pyridinyl)amino]-5,5-dimethylhexansäure [German] [ACD/IUPAC Name]
3-[(2-Cyano-4-pyridinyl)amino]-5,5-dimethylhexanoic acid [ACD/IUPAC Name]
Acide 3-[(2-cyano-4-pyridinyl)amino]-5,5-diméthylhexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 3-[(2-cyano-4-pyridinyl)amino]-5,5-dimethyl- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 476.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 241.8±27.3 °C
Index of Refraction: 1.541
Molar Refractivity: 71.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 1.07
ACD/KOC (pH 5.5): 14.72
ACD/LogD (pH 7.4): -0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 86 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 227.2±5.0 cm3

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