ChemSpider 2D Image | compound 13k [PMID: 22390415] | C15H20N2O7P2

compound 13k [PMID: 22390415]

  • Molecular FormulaC15H20N2O7P2
  • Average mass402.276 Da
  • Monoisotopic mass402.074585 Da
  • ChemSpider ID28509197

More details:

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

compound 13k [PMID: 22390415]
({[4-(4-Isopropoxyphenyl)-2-pyridinyl]amino}methylen)bis(phosphonsäure) [German] [ACD/IUPAC Name]
({[4-(4-Isopropoxyphenyl)-2-pyridinyl]amino}methylene)bis(phosphonic acid) [ACD/IUPAC Name]
[({4-[4-(Propan-2-Yloxy)phenyl]pyridin-2-Yl}amino)methanediyl]bis(Phosphonic Acid)
[phosphono-[[4-(4-propan-2-yloxyphenyl)pyridin-2-yl]amino]methyl]phosphonic acid
Acide ({[4-(4-isopropoxyphényl)-2-pyridinyl]amino}méthylène)bis(phosphonique) [French] [ACD/IUPAC Name]
Phosphonic acid, [[[4-[4-(1-methylethoxy)phenyl]-2-pyridinyl]amino]methylene]bis- [ACD/Index Name]
YS4

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

Density: 1.5±0.1 g/cm3
Boiling Point: 746.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.2±3.0 kJ/mol
Flash Point: 405.0±35.7 °C
Index of Refraction: 1.635
Molar Refractivity: 94.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.42
ACD/LogD (pH 5.5): -5.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 75.2±3.0 dyne/cm
Molar Volume: 263.5±3.0 cm3

Click to predict properties on the Chemicalize site


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