ChemSpider 2D Image | 5-[Methyl(3-pyridinylmethyl)amino]-2-(propionylamino)benzoic acid | C17H19N3O3

5-[Methyl(3-pyridinylmethyl)amino]-2-(propionylamino)benzoic acid

  • Molecular FormulaC17H19N3O3
  • Average mass313.351 Da
  • Monoisotopic mass313.142639 Da
  • ChemSpider ID24661414

More details:






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

5-[Methyl(3-pyridinylmethyl)amino]-2-(propionylamino)benzoesäure [German] [ACD/IUPAC Name]
5-[Methyl(3-pyridinylmethyl)amino]-2-(propionylamino)benzoic acid [ACD/IUPAC Name]
5-[methyl(pyridin-3-ylmethyl)amino]-2-(propanoylamino)benzoic acid
Acide 5-[méthyl(3-pyridinylméthyl)amino]-2-(propionylamino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-[methyl(3-pyridinylmethyl)amino]-2-[(1-oxopropyl)amino]- [ACD/Index Name]
5-(methyl(pyridin-3-ylmethyl)amino)-2-propionamidobenzoic acid
7Z5

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

Density: 1.3±0.1 g/cm3
Boiling Point: 608.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 321.6±31.5 °C
Index of Refraction: 1.652
Molar Refractivity: 89.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 2.53
ACD/KOC (pH 5.5): 21.91
ACD/LogD (pH 7.4): 0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.16
Polar Surface Area: 83 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 61.3±3.0 dyne/cm
Molar Volume: 243.5±3.0 cm3

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