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Search term: ZBNYUKRKQDQVAN-OBGWFSINSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 9-[(E)-2-(2,6-Dimethylphenyl)vinyl]-N-[4-(dimethylphosphoryl)phenyl]-2-(1-methyl-4-piperidinyl)-9H-purin-6-amine | C29H35N6OP

9-[(E)-2-(2,6-Dimethylphenyl)vinyl]-N-[4-(dimethylphosphoryl)phenyl]-2-(1-methyl-4-piperidinyl)-9H-purin-6-amine

  • Molecular FormulaC29H35N6OP
  • Average mass514.602 Da
  • Monoisotopic mass514.260986 Da
  • ChemSpider ID23330556

  • Double-bond stereo - Double-bond stereo

More details:

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

9-[(E)-2-(2,6-Dimethylphenyl)vinyl]-N-[4-(dimethylphosphoryl)phenyl]-2-(1-methyl-4-piperidinyl)-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-[(E)-2-(2,6-Dimethylphenyl)vinyl]-N-[4-(dimethylphosphoryl)phenyl]-2-(1-methyl-4-piperidinyl)-9H-purin-6-amine [ACD/IUPAC Name]
9-[(E)-2-(2,6-Diméthylphényl)vinyl]-N-[4-(diméthylphosphoryl)phényl]-2-(1-méthyl-4-pipéridinyl)-9H-purin-6-amine [French] [ACD/IUPAC Name]
9-(2,6-dimethylstyryl)-N-(4-(dimethylphosphoryl)phenyl)-2-(1-methylpiperidin-4-yl)-9H-purin-6-amine
9-[(E)-2-(2,6-dimethylphenyl)ethenyl]-N-[4-(dimethylphosphoryl)phenyl]-2-(1-methylpiperidin-4-yl)-9H-purin-6-amine
9H-purin-6-amine, 9-[(E)-2-(2,6-dimethylphenyl)ethenyl]-N-[4-(dimethylphosphinyl)phenyl]-2-(1-methyl-4-piperidinyl)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL461768/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 661.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 354.0±34.3 °C
Index of Refraction: 1.654
Molar Refractivity: 150.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.34
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 47.07
ACD/KOC (pH 7.4): 314.42
Polar Surface Area: 86 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 49.5±7.0 dyne/cm
Molar Volume: 410.0±7.0 cm3

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