ChemSpider 2D Image | Ethyl N-[2-amino-5-formyl-6-(1-piperidinyl)-4-pyrimidinyl]-beta-alaninate | C15H23N5O3

Ethyl N-[2-amino-5-formyl-6-(1-piperidinyl)-4-pyrimidinyl]-β-alaninate

  • Molecular FormulaC15H23N5O3
  • Average mass321.375 Da
  • Monoisotopic mass321.180084 Da
  • ChemSpider ID30654422

More details:

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

Ethyl N-[2-amino-5-formyl-6-(1-piperidinyl)-4-pyrimidinyl]-β-alaninate [ACD/IUPAC Name]
Ethyl-N-[2-amino-5-formyl-6-(1-piperidinyl)-4-pyrimidinyl]-β-alaninat [German] [ACD/IUPAC Name]
N-[2-Amino-5-formyl-6-(1-pipéridinyl)-4-pyrimidinyl]-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[2-amino-5-formyl-6-(1-piperidinyl)-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: 609.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 322.2±34.3 °C
Index of Refraction: 1.620
Molar Refractivity: 88.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 3.71
ACD/KOC (pH 5.5): 39.86
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 51.57
ACD/KOC (pH 7.4): 554.44
Polar Surface Area: 110 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 67.4±3.0 dyne/cm
Molar Volume: 251.1±3.0 cm3

Click to predict properties on the Chemicalize site


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