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Search term: KBEJCSPRYFMBJJ-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 6-(Benzylamino)-4-cyclohexene-1,2,3-triol | C13H17NO3

6-(Benzylamino)-4-cyclohexene-1,2,3-triol

  • Molecular FormulaC13H17NO3
  • Average mass235.279 Da
  • Monoisotopic mass235.120850 Da
  • ChemSpider ID23257864

More details:

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

4-Cyclohexene-1,2,3-triol, 6-[(phenylmethyl)amino]- [ACD/Index Name]
6-(Benzylamino)-4-cyclohexen-1,2,3-triol [German] [ACD/IUPAC Name]
6-(Benzylamino)-4-cyclohexene-1,2,3-triol [ACD/IUPAC Name]
6-(Benzylamino)-4-cyclohexène-1,2,3-triol [French] [ACD/IUPAC Name]
6-(benzylamino)cyclohex-4-ene-1,2,3-triol
6-Benzylamino-cyclohex-4-ene-1,2,3-triol
CHEMBL191507

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

Density: 1.3±0.1 g/cm3
Boiling Point: 399.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.6±3.0 kJ/mol
Flash Point: 153.2±18.5 °C
Index of Refraction: 1.634
Molar Refractivity: 65.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.65
ACD/LogD (pH 5.5): -1.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.44
Polar Surface Area: 73 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 182.4±5.0 cm3

Click to predict properties on the Chemicalize site


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