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Search term: VVJIMJXLYKGRIQ-AWEZNQCLSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3S)-3-Amino-6-benzyl-1-hydroxy-7-methoxy-3,4-dihydro-2(1H)-quinolinone | C17H18N2O3

(3S)-3-Amino-6-benzyl-1-hydroxy-7-methoxy-3,4-dihydro-2(1H)-quinolinone

  • Molecular FormulaC17H18N2O3
  • Average mass298.336 Da
  • Monoisotopic mass298.131744 Da
  • ChemSpider ID29408381

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Amino-6-benzyl-1-hydroxy-7-methoxy-3,4-dihydro-2(1H)-chinolinon [German] [ACD/IUPAC Name]
(3S)-3-Amino-6-benzyl-1-hydroxy-7-méthoxy-3,4-dihydro-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
(3S)-3-Amino-6-benzyl-1-hydroxy-7-methoxy-3,4-dihydro-2(1H)-quinolinone [ACD/IUPAC Name]
2(1H)-Quinolinone, 3-amino-3,4-dihydro-1-hydroxy-7-methoxy-6-(phenylmethyl)-, (3S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 511.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 263.1±32.9 °C
Index of Refraction: 1.638
Molar Refractivity: 83.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.01
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 8.05
ACD/KOC (pH 7.4): 144.67
Polar Surface Area: 76 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 231.8±3.0 cm3

Click to predict properties on the Chemicalize site


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