ChemSpider 2D Image | 1-[1-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}benzyl)-4-piperidinyl]-1-propanone | C22H28N8O

1-[1-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}benzyl)-4-piperidinyl]-1-propanone

  • Molecular FormulaC22H28N8O
  • Average mass420.511 Da
  • Monoisotopic mass420.238617 Da
  • ChemSpider ID22377080

More details:

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

1-[1-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}benzyl)-4-piperidinyl]-1-propanon [German] [ACD/IUPAC Name]
1-[1-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}benzyl)-4-piperidinyl]-1-propanone [ACD/IUPAC Name]
1-[1-(4-{[(2,4-Diamino-6-ptéridinyl)méthyl]amino}benzyl)-4-pipéridinyl]-1-propanone [French] [ACD/IUPAC Name]
1-[1-(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzyl)piperidin-4-yl]propan-1-one
1-Propanone, 1-[1-[[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]phenyl]methyl]-4-piperidinyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 674.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 361.9±34.3 °C
Index of Refraction: 1.704
Molar Refractivity: 122.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.86
ACD/LogD (pH 5.5): -1.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.27
ACD/KOC (pH 7.4): 24.90
Polar Surface Area: 136 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 81.6±3.0 dyne/cm
Molar Volume: 315.3±3.0 cm3

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