ChemSpider 2D Image | Ethyl N-[2-amino-6-(benzyloxy)-5-nitroso-4-pyrimidinyl]-beta-alaninate | C16H19N5O4

Ethyl N-[2-amino-6-(benzyloxy)-5-nitroso-4-pyrimidinyl]-β-alaninate

  • Molecular FormulaC16H19N5O4
  • Average mass345.353 Da
  • Monoisotopic mass345.143707 Da
  • ChemSpider ID21140444

More details:

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

Ethyl N-[2-amino-6-(benzyloxy)-5-nitroso-4-pyrimidinyl]-β-alaninate [ACD/IUPAC Name]
Ethyl-N-[2-amino-6-(benzyloxy)-5-nitroso-4-pyrimidinyl]-β-alaninat [German] [ACD/IUPAC Name]
N-[2-Amino-6-(benzyloxy)-5-nitroso-4-pyrimidinyl]-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[2-amino-5-nitroso-6-(phenylmethoxy)-4-pyrimidinyl]-, ethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 451.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.0±3.0 kJ/mol
Flash Point: 226.7±31.5 °C
Index of Refraction: 1.619
Molar Refractivity: 89.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.04
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.76
Polar Surface Area: 125 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 53.5±7.0 dyne/cm
Molar Volume: 255.4±7.0 cm3

Click to predict properties on the Chemicalize site


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