ChemSpider 2D Image | N-Benzyl-N~3~-7H-purin-6-yl-beta-alaninamide | C15H16N6O

N-Benzyl-N3-7H-purin-6-yl-β-alaninamide

  • Molecular FormulaC15H16N6O
  • Average mass296.327 Da
  • Monoisotopic mass296.138550 Da
  • ChemSpider ID30158420

More details:

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

N-Benzyl-N3-7H-purin-6-yl-β-alaninamid [German] [ACD/IUPAC Name]
N-Benzyl-N3-7H-purin-6-yl-β-alaninamide [ACD/IUPAC Name]
N-Benzyl-N3-7H-purin-6-yl-β-alaninamide [French] [ACD/IUPAC Name]
Propanamide, N-(phenylmethyl)-3-(7H-purin-6-ylamino)- [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: 730.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 395.4±32.9 °C
Index of Refraction: 1.705
Molar Refractivity: 84.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.03
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 11.15
ACD/KOC (pH 5.5): 194.88
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 11.27
ACD/KOC (pH 7.4): 196.95
Polar Surface Area: 96 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 73.8±3.0 dyne/cm
Molar Volume: 217.2±3.0 cm3

Click to predict properties on the Chemicalize site


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