ChemSpider 2D Image | 6-[(2-Hydroxybenzyl)amino]-4-cyclohexene-1,2,3-triol | C13H17NO4

6-[(2-Hydroxybenzyl)amino]-4-cyclohexene-1,2,3-triol

  • Molecular FormulaC13H17NO4
  • Average mass251.278 Da
  • Monoisotopic mass251.115753 Da
  • ChemSpider ID23257816

More details:

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

4-Cyclohexene-1,2,3-triol, 6-[[(2-hydroxyphenyl)methyl]amino]- [ACD/Index Name]
6-[(2-Hydroxybenzyl)amino]-4-cyclohexen-1,2,3-triol [German] [ACD/IUPAC Name]
6-[(2-Hydroxybenzyl)amino]-4-cyclohexene-1,2,3-triol [ACD/IUPAC Name]
6-[(2-Hydroxybenzyl)amino]-4-cyclohexène-1,2,3-triol [French] [ACD/IUPAC Name]
6-[(2-hydroxybenzyl)amino]cyclohex-4-ene-1,2,3-triol
6-(2-Hydroxy-benzylamino)-cyclohex-4-ene-1,2,3-triol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 451.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±3.0 kJ/mol
Flash Point: 181.6±19.3 °C
Index of Refraction: 1.667
Molar Refractivity: 66.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.09
ACD/LogD (pH 5.5): -1.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.22
Polar Surface Area: 93 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 75.4±5.0 dyne/cm
Molar Volume: 179.3±5.0 cm3

Click to predict properties on the Chemicalize site


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