ChemSpider 2D Image | ({[6-(4-Methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl)phosphonic acid | C14H14N3O3PS

({[6-(4-Methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl)phosphonic acid

  • Molecular FormulaC14H14N3O3PS
  • Average mass335.318 Da
  • Monoisotopic mass335.049347 Da
  • ChemSpider ID34246169

More details:

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

({[6-(4-Methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl)phosphonic acid [ACD/IUPAC Name]
({[6-(4-Methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl)phosphonsäure [German] [ACD/IUPAC Name]
Acide ({[6-(4-méthylphényl)thiéno[2,3-d]pyrimidin-4-yl]amino}méthyl)phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [[[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]- [ACD/Index Name]
YL3

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

Density: 1.5±0.1 g/cm3
Boiling Point: 661.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 353.8±34.3 °C
Index of Refraction: 1.730
Molar Refractivity: 87.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.81
ACD/LogD (pH 5.5): -1.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 80.5±3.0 dyne/cm
Molar Volume: 219.7±3.0 cm3

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