ChemSpider 2D Image | 2-[(Cyclopropylcarbonyl)amino]-5-[methyl(3-pyridinylmethyl)amino]benzoic acid | C18H19N3O3

2-[(Cyclopropylcarbonyl)amino]-5-[methyl(3-pyridinylmethyl)amino]benzoic acid

  • Molecular FormulaC18H19N3O3
  • Average mass325.362 Da
  • Monoisotopic mass325.142639 Da
  • ChemSpider ID24675162

More details:






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

2-[(Cyclopropylcarbonyl)amino]-5-[methyl(3-pyridinylmethyl)amino]benzoesäure [German] [ACD/IUPAC Name]
2-[(Cyclopropylcarbonyl)amino]-5-[methyl(3-pyridinylmethyl)amino]benzoic acid [ACD/IUPAC Name]
2-[(cyclopropylcarbonyl)amino]-5-[methyl(pyridin-3-ylmethyl)amino]benzoic acid
Acide 2-[(cyclopropylcarbonyl)amino]-5-[méthyl(3-pyridinylméthyl)amino]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[(cyclopropylcarbonyl)amino]-5-[methyl(3-pyridinylmethyl)amino]- [ACD/Index Name]
1X5
2-(cyclopropanecarboxamido)-5-(methyl(pyridin-3-ylmethyl)amino)benzoic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 635.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 338.0±31.5 °C
Index of Refraction: 1.701
Molar Refractivity: 91.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 2.46
ACD/KOC (pH 5.5): 22.10
ACD/LogD (pH 7.4): 0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.10
Polar Surface Area: 83 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 77.2±3.0 dyne/cm
Molar Volume: 236.3±3.0 cm3

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