ChemSpider 2D Image | (2R)-2-({6-[(4-Amino-3-chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)-3-methyl-1-butanol | C19H26ClN7O

(2R)-2-({6-[(4-Amino-3-chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)-3-methyl-1-butanol

  • Molecular FormulaC19H26ClN7O
  • Average mass403.909 Da
  • Monoisotopic mass403.188751 Da
  • ChemSpider ID23168040

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-({6-[(4-amino-3-chlorophenyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}amino)-3-methylbutan-1-ol
(2R)-2-({6-[(4-Amino-3-chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)-3-methyl-1-butanol [ACD/IUPAC Name]
(2R)-2-({6-[(4-Amino-3-chlorophényl)amino]-9-isopropyl-9H-purin-2-yl}amino)-3-méthyl-1-butanol [French] [ACD/IUPAC Name]
(2R)-2-({6-[(4-Amino-3-chlorphenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)-3-methyl-1-butanol [German] [ACD/IUPAC Name]
1-Butanol, 2-[[6-[(4-amino-3-chlorophenyl)amino]-9-(1-methylethyl)-9H-purin-2-yl]amino]-3-methyl-, (2R)- [ACD/Index Name]
2-[6-(4-Amino-3-chloro-phenylamino)-9-isopropyl-9H-purin-2-ylamino]-3-methyl-butan-1-ol
CHEMBL78214

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

Density: 1.4±0.1 g/cm3
Boiling Point: 617.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 327.4±34.3 °C
Index of Refraction: 1.679
Molar Refractivity: 108.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.46
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 329.86
ACD/KOC (pH 5.5): 2168.11
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 352.04
ACD/KOC (pH 7.4): 2313.92
Polar Surface Area: 114 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 51.3±7.0 dyne/cm
Molar Volume: 287.0±7.0 cm3

Click to predict properties on the Chemicalize site


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