ChemSpider 2D Image | 2-{[(2-{[(E)-2-(Dimethylamino)vinyl](ethyl)amino}-2-oxoethyl)amino]methyl}isonicotinic acid | C15H22N4O3

2-{[(2-{[(E)-2-(Dimethylamino)vinyl](ethyl)amino}-2-oxoethyl)amino]methyl}isonicotinic acid

  • Molecular FormulaC15H22N4O3
  • Average mass306.360 Da
  • Monoisotopic mass306.169189 Da
  • ChemSpider ID35034092
  • Double-bond stereo - Double-bond stereo


More details:






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

2-{[(2-{[(E)-2-(Dimethylamino)ethenyl](Ethyl)amino}-2-Oxoethyl)amino]methyl}pyridine-4-Carboxylic Acid
2-{[(2-{[(E)-2-(Dimethylamino)vinyl](ethyl)amino}-2-oxoethyl)amino]methyl}isonicotinic acid [ACD/IUPAC Name]
2-{[(2-{[(E)-2-(Dimethylamino)vinyl](ethyl)amino}-2-oxoethyl)amino]methyl}isonicotinsäure [German] [ACD/IUPAC Name]
4-Pyridinecarboxylic acid, 2-[[[2-[[(E)-2-(dimethylamino)ethenyl]ethylamino]-2-oxoethyl]amino]methyl]- [ACD/Index Name]
Acide 2-{[(2-{[(E)-2-(diméthylamino)vinyl](éthyl)amino}-2-oxoéthyl)amino]méthyl}isonicotinique [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 552.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 288.0±30.1 °C
Index of Refraction: 1.569
Molar Refractivity: 84.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -0.48
ACD/LogD (pH 5.5): -2.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 86 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 257.6±3.0 cm3

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