ChemSpider 2D Image | N-[(5-Bromo-2-oxo-1(2H)-pyridinyl)acetyl]-N-(tetrahydro-2H-pyran-4-yl)-beta-alanine | C15H19BrN2O5

N-[(5-Bromo-2-oxo-1(2H)-pyridinyl)acetyl]-N-(tetrahydro-2H-pyran-4-yl)-β-alanine

  • Molecular FormulaC15H19BrN2O5
  • Average mass387.226 Da
  • Monoisotopic mass386.047729 Da
  • ChemSpider ID53685632

More details:






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

N-[(5-Brom-2-oxo-1(2H)-pyridinyl)acetyl]-N-(tetrahydro-2H-pyran-4-yl)-β-alanin [German] [ACD/IUPAC Name]
N-[(5-Bromo-2-oxo-1(2H)-pyridinyl)acetyl]-N-(tetrahydro-2H-pyran-4-yl)-β-alanine [ACD/IUPAC Name]
N-[2-(5-Bromo-2-oxo-1(2H)-pyridinyl)acétyl]-N-(tétrahydro-2H-pyran-4-yl)-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[2-(5-bromo-2-oxo-1(2H)-pyridinyl)acetyl]-N-(tetrahydro-2H-pyran-4-yl)- [ACD/Index Name]
3-[2-(5-BROMO-2-OXOPYRIDIN-1-YL)-N-(OXAN-4-YL)ACETAMIDO]PROPANOIC ACID

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

Density: 1.6±0.1 g/cm3
Boiling Point: 604.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 98.2±6.0 kJ/mol
Flash Point: 319.5±31.5 °C
Index of Refraction: 1.616
Molar Refractivity: 86.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.56
ACD/LogD (pH 5.5): -1.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 65.1±5.0 dyne/cm
Molar Volume: 246.3±5.0 cm3

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