Found 19 results

Search term: MF = 'C_{29}H_{37}N_{9}O'
ChemSpider 2D Image | 4-{[4-({2-[(4-Aminocyclohexyl)amino]-9-cyclopentyl-9H-purin-6-yl}amino)-1-piperidinyl]carbonyl}benzonitrile | C29H37N9O

4-{[4-({2-[(4-Aminocyclohexyl)amino]-9-cyclopentyl-9H-purin-6-yl}amino)-1-piperidinyl]carbonyl}benzonitrile

  • Molecular FormulaC29H37N9O
  • Average mass527.664 Da
  • Monoisotopic mass527.312134 Da
  • ChemSpider ID8455406

More details:

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

4-{[4-({2-[(4-Aminocyclohexyl)amino]-9-cyclopentyl-9H-purin-6-yl}amino)-1-piperidinyl]carbonyl}benzonitril [German] [ACD/IUPAC Name]
4-{[4-({2-[(4-Aminocyclohexyl)amino]-9-cyclopentyl-9H-purin-6-yl}amino)-1-piperidinyl]carbonyl}benzonitrile [ACD/IUPAC Name]
4-{[4-({2-[(4-Aminocyclohexyl)amino]-9-cyclopentyl-9H-purin-6-yl}amino)-1-pipéridinyl]carbonyl}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-9H-purin-6-yl]amino]-1-piperidinyl]carbonyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 819.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.2±3.0 kJ/mol
Flash Point: 449.6±37.1 °C
Index of Refraction: 1.754
Molar Refractivity: 148.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.07
ACD/LogD (pH 5.5): -0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.58
Polar Surface Area: 138 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 65.0±7.0 dyne/cm
Molar Volume: 363.6±7.0 cm3

Click to predict properties on the Chemicalize site


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