ChemSpider 2D Image | (2S)-2-({6-[(3-Chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)-3-methyl-1-butanol | C19H25ClN6O

(2S)-2-({6-[(3-Chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)-3-methyl-1-butanol

  • Molecular FormulaC19H25ClN6O
  • Average mass388.894 Da
  • Monoisotopic mass388.177826 Da
  • ChemSpider ID23168357

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-({6-[(3-Chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)-3-methyl-1-butanol [ACD/IUPAC Name]
(2S)-2-({6-[(3-Chlorophényl)amino]-9-isopropyl-9H-purin-2-yl}amino)-3-méthyl-1-butanol [French] [ACD/IUPAC Name]
(2S)-2-({6-[(3-Chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)-3-methylbutan-1-ol
(2S)-2-({6-[(3-Chlorphenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)-3-methyl-1-butanol [German] [ACD/IUPAC Name]
1-Butanol, 2-[[6-[(3-chlorophenyl)amino]-9-(1-methylethyl)-9H-purin-2-yl]amino]-3-methyl-, (2S)- [ACD/Index Name]
(2S)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}amino)-3-methylbutan-1-ol
2-[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2-ylamino]-3-methyl-butan-1-ol
CHEMBL80611
Purvalanol A

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

NG-60 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 590.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 310.9±32.9 °C
Index of Refraction: 1.654
Molar Refractivity: 106.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 2059.02
ACD/KOC (pH 5.5): 8069.67
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 2171.63
ACD/KOC (pH 7.4): 8511.01
Polar Surface Area: 88 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 47.2±7.0 dyne/cm
Molar Volume: 290.3±7.0 cm3

Click to predict properties on the Chemicalize site


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