ChemSpider 2D Image | Ethyl N-[2-(benzylamino)-6-(benzyloxy)-5-nitroso-4-pyrimidinyl]-beta-alaninate | C23H25N5O4

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

  • Molecular FormulaC23H25N5O4
  • Average mass435.476 Da
  • Monoisotopic mass435.190643 Da
  • ChemSpider ID30654495

More details:

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

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 675.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 362.1±34.3 °C
Index of Refraction: 1.611
Molar Refractivity: 120.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 368.88
ACD/KOC (pH 5.5): 2392.39
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 369.31
ACD/KOC (pH 7.4): 2395.21
Polar Surface Area: 115 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 49.1±7.0 dyne/cm
Molar Volume: 347.2±7.0 cm3

Click to predict properties on the Chemicalize site


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