ChemSpider 2D Image | (S)-CR8 | C24H29N7O

(S)-CR8

  • Molecular FormulaC24H29N7O
  • Average mass431.533 Da
  • Monoisotopic mass431.243347 Da
  • ChemSpider ID26328938
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-2-[(9-Isopropyl-6-{[4-(2-pyridinyl)benzyl]amino}-9H-purin-2-yl)amino]-1-butanol [German] [ACD/IUPAC Name]
(2S)-2-[(9-Isopropyl-6-{[4-(2-pyridinyl)benzyl]amino}-9H-purin-2-yl)amino]-1-butanol [ACD/IUPAC Name]
(2S)-2-[(9-Isopropyl-6-{[4-(2-pyridinyl)benzyl]amino}-9H-purin-2-yl)amino]-1-butanol [French] [ACD/IUPAC Name]
(2S)-2-[[9-propan-2-yl-6-[[4-(2-pyridinyl)phenyl]methylamino]-2-purinyl]amino]-1-butanol
(S)-CR8
1084893-56-0 [RN]
1-Butanol, 2-[[9-(1-methylethyl)-6-[[[4-(2-pyridinyl)phenyl]methyl]amino]-9H-purin-2-yl]amino]-, (2S)- [ACD/Index Name]
(2s)-2-({9-(1-Methylethyl)-6-[(4-Pyridin-2-Ylbenzyl)amino]-9h-Purin-2-Yl}amino)butan-1-Ol
(2S)-2-[[9-(1-methylethyl)-6-[[[4-(2-pyridinyl)phenyl]methyl]amino]-9H-purin-2-yl]amino]-1-butanol
(2S)-2-{[9-(Propan-2-yl)-6-({[4-(pyridin-2-yl)phenyl]methyl}amino)-9H-purin-2-yl]amino}butan-1-ol
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 671.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 359.8±34.3 °C
Index of Refraction: 1.664
Molar Refractivity: 125.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 1213.68
ACD/KOC (pH 5.5): 5280.91
ACD/LogD (pH 7.4): 4.48
ACD/BCF (pH 7.4): 1499.88
ACD/KOC (pH 7.4): 6526.21
Polar Surface Area: 101 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 338.3±7.0 cm3

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