ChemSpider 2D Image | 1-(2-Amino-6-chloro-9H-purin-9-yl)ethyl acetate | C9H10ClN5O2

1-(2-Amino-6-chloro-9H-purin-9-yl)ethyl acetate

  • Molecular FormulaC9H10ClN5O2
  • Average mass255.661 Da
  • Monoisotopic mass255.052307 Da
  • ChemSpider ID23225501

More details:






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

1-(2-Amino-6-chlor-9H-purin-9-yl)ethyl-acetat [German] [ACD/IUPAC Name]
1-(2-Amino-6-chloro-9H-purin-9-yl)ethyl acetate [ACD/IUPAC Name]
9H-Purine-9-methanol, 2-amino-6-chloro-α-methyl-, acetate (ester) [ACD/Index Name]
Acétate de 1-(2-amino-6-chloro-9H-purin-9-yl)éthyle [French] [ACD/IUPAC Name]
Acetic acid 1-(2-amino-6-chloro-purin-9-yl)-ethyl ester

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 482.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.7±3.0 kJ/mol
Flash Point: 245.3±31.5 °C
Index of Refraction: 1.716
Molar Refractivity: 60.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.61
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 3.07
ACD/KOC (pH 5.5): 77.76
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 3.08
ACD/KOC (pH 7.4): 77.77
Polar Surface Area: 96 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 62.3±7.0 dyne/cm
Molar Volume: 153.6±7.0 cm3

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