ChemSpider 2D Image | 2-amino-9-isopentyl-5H-purin-6(9H)-one | C10H15N5O

2-amino-9-isopentyl-5H-purin-6(9H)-one

  • Molecular FormulaC10H15N5O
  • Average mass221.259 Da
  • Monoisotopic mass221.127655 Da
  • ChemSpider ID21429314

More details:

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

15065-50-6 [RN]
2-Amino-9-(3-methylbutyl)-5,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-(3-methylbutyl)-5,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-(3-méthylbutyl)-5,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
2-amino-9-isopentyl-5H-purin-6(9H)-one
6H-Purin-6-one, 2-amino-5,9-dihydro-9-(3-methylbutyl)- [ACD/Index Name]
2-Amino-9-(3-methylbutyl)-3H-purin-6-one
2-AMINO-9-(3-METHYLBUTYL)-5H-PURIN-6-ONE
2-amino-9-isopentyl-5,9-dihydro-6H-purin-6-one
2-Amino-9-isopentyl-5H-purin-6[9H]-one
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 345.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.0±3.0 kJ/mol
Flash Point: 162.8±23.2 °C
Index of Refraction: 1.694
Molar Refractivity: 59.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.12
ACD/LogD (pH 5.5): -0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.91
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.14
Polar Surface Area: 83 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 56.6±7.0 dyne/cm
Molar Volume: 153.8±7.0 cm3

Click to predict properties on the Chemicalize site


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