ChemSpider 2D Image | [7-Cyano-1-(hydroxymethyl)-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl dihydrogen phosphate | C12H15N2O5P

[7-Cyano-1-(hydroxymethyl)-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl dihydrogen phosphate

  • Molecular FormulaC12H15N2O5P
  • Average mass298.232 Da
  • Monoisotopic mass298.071869 Da
  • ChemSpider ID94447592

More details:

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

[7-Cyan-1-(hydroxymethyl)-1,2,3,4-tetrahydro-1-isochinolinyl]methyldihydrogenphosphat [German] [ACD/IUPAC Name]
[7-Cyano-1-(hydroxymethyl)-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl dihydrogen phosphate [ACD/IUPAC Name]
7-Isoquinolinecarbonitrile, 1,2,3,4-tetrahydro-1-(hydroxymethyl)-1-[(phosphonooxy)methyl]- [ACD/Index Name]
Dihydrogénophosphate de [7-cyano-1-(hydroxyméthyl)-1,2,3,4-tétrahydro-1-isoquinoléinyl]méthyle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 558.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 291.5±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 69.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.27
ACD/LogD (pH 5.5): -3.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 81.9±5.0 dyne/cm
Molar Volume: 195.3±5.0 cm3

Click to predict properties on the Chemicalize site


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