ChemSpider 2D Image | N-{[5-Chloro-2-(propylsulfanyl)-4-pyrimidinyl]carbonyl}-beta-alanine | C11H14ClN3O3S

N-{[5-Chloro-2-(propylsulfanyl)-4-pyrimidinyl]carbonyl}-β-alanine

  • Molecular FormulaC11H14ClN3O3S
  • Average mass303.765 Da
  • Monoisotopic mass303.044434 Da
  • ChemSpider ID24758660

More details:

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

N-{[5-Chlor-2-(propylsulfanyl)-4-pyrimidinyl]carbonyl}-β-alanin [German] [ACD/IUPAC Name]
N-{[5-Chloro-2-(propylsulfanyl)-4-pyrimidinyl]carbonyl}-β-alanine [ACD/IUPAC Name]
N-{[5-Chloro-2-(propylsulfanyl)-4-pyrimidinyl]carbonyl}-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[[5-chloro-2-(propylthio)-4-pyrimidinyl]carbonyl]- [ACD/Index Name]
1225167-23-6 [RN]
3-(5-chloro-2-(propylthio)pyrimidine-4-carboxamido)propanoic acid
3-[(5-chloro-2-propylthiopyrimidin-4-yl)carbonylamino]propanoic acid
3-{[5-chloro-2-(propylsulfanyl)pyrimidin-4-yl]formamido}propanoic acid
N-{[5-chloro-2-(propylsulfanyl)pyrimidin-4-yl]carbonyl}-β-alanine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 552.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 287.8±28.7 °C
Index of Refraction: 1.596
Molar Refractivity: 73.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.05
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.47
ACD/LogD (pH 7.4): -1.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 117 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 68.9±5.0 dyne/cm
Molar Volume: 214.7±5.0 cm3

Click to predict properties on the Chemicalize site


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