ChemSpider 2D Image | 2-[1-({2-[2-(Dimethylamino)-1H-benzimidazol-1-yl]-9-methyl-6-(4-morpholinyl)-9H-purin-8-yl}methyl)-4-piperidinyl]-2-propanol | C28H39N9O2

2-[1-({2-[2-(Dimethylamino)-1H-benzimidazol-1-yl]-9-methyl-6-(4-morpholinyl)-9H-purin-8-yl}methyl)-4-piperidinyl]-2-propanol

  • Molecular FormulaC28H39N9O2
  • Average mass533.668 Da
  • Monoisotopic mass533.322693 Da
  • ChemSpider ID28642771

More details:






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

2-[1-({2-[2-(Dimethylamino)-1H-benzimidazol-1-yl]-9-methyl-6-(4-morpholinyl)-9H-purin-8-yl}methyl)-4-piperidinyl]-2-propanol [German] [ACD/IUPAC Name]
2-[1-({2-[2-(Dimethylamino)-1H-benzimidazol-1-yl]-9-methyl-6-(4-morpholinyl)-9H-purin-8-yl}methyl)-4-piperidinyl]-2-propanol [ACD/IUPAC Name]
2-[1-({2-[2-(Diméthylamino)-1H-benzimidazol-1-yl]-9-méthyl-6-(4-morpholinyl)-9H-purin-8-yl}méthyl)-4-pipéridinyl]-2-propanol [French] [ACD/IUPAC Name]
2-[1-({2-[2-(Dimethylamino)-1h-Benzimidazol-1-Yl]-9-Methyl-6-(Morpholin-4-Yl)-9h-Purin-8-Yl}methyl)piperidin-4-Yl]propan-2-Ol
4-Piperidinemethanol, 1-[[2-[2-(dimethylamino)-1H-benzimidazol-1-yl]-9-methyl-6-(4-morpholinyl)-9H-purin-8-yl]methyl]-α,α-dimethyl- [ACD/Index Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 764.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.8±3.0 kJ/mol
Flash Point: 416.1±35.7 °C
Index of Refraction: 1.698
Molar Refractivity: 150.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.63
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 25.16
ACD/KOC (pH 7.4): 317.30
Polar Surface Area: 101 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 54.8±7.0 dyne/cm
Molar Volume: 389.1±7.0 cm3

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