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Search term: DUXLOXDDMDLSLH-ITGUQSILSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl hydrogen (S)-phenylphosphonate | C14H20NO3P

(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl hydrogen (S)-phenylphosphonate

  • Molecular FormulaC14H20NO3P
  • Average mass281.287 Da
  • Monoisotopic mass281.118073 Da
  • ChemSpider ID59051916

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl hydrogen (S)-phenylphosphonate [ACD/IUPAC Name]
(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl-hydrogen(S)-phenylphosphonat [German] [ACD/IUPAC Name]
Hydrogéno(S)-phénylphosphonate de (3-endo)-8-méthyl-8-azabicyclo[3.2.1]oct-3-yle [French] [ACD/IUPAC Name]
Phosphonic acid, P-phenyl-, mono[(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl] ester, (S)- [ACD/Index Name]
8-Methyl-8-Azabicyclo[3.2.1]octan-3-Yl Phenylphosphonate
XOP

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

Density: 1.3±0.1 g/cm3
Boiling Point: 410.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.9±3.0 kJ/mol
Flash Point: 202.1±31.5 °C
Index of Refraction: 1.578
Molar Refractivity: 73.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): -1.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 60 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 221.7±5.0 cm3

Click to predict properties on the Chemicalize site


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