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Search term: CGLXTBACLXZPED (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-(Aminomethyl)-5-(hydroxymethyl)-2-methyl-3-pyridinyl dihydrogen phosphate | C8H13N2O5P

4-(Aminomethyl)-5-(hydroxymethyl)-2-methyl-3-pyridinyl dihydrogen phosphate

  • Molecular FormulaC8H13N2O5P
  • Average mass248.173 Da
  • Monoisotopic mass248.056213 Da
  • ChemSpider ID75115112

More details:

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

3-Pyridinemethanol, 4-(aminomethyl)-6-methyl-5-(phosphonooxy)- [ACD/Index Name]
4-(Aminomethyl)-5-(hydroxymethyl)-2-methyl-3-pyridinyl dihydrogen phosphate [ACD/IUPAC Name]
4-(Aminomethyl)-5-(hydroxymethyl)-2-methyl-3-pyridinyldihydrogenphosphat [German] [ACD/IUPAC Name]
Dihydrogénophosphate de 4-(aminométhyl)-5-(hydroxyméthyl)-2-méthyl-3-pyridinyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 540.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 280.6±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 56.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -2.56
ACD/LogD (pH 5.5): -5.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 136 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 82.9±3.0 dyne/cm
Molar Volume: 159.4±3.0 cm3

Click to predict properties on the Chemicalize site


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