ChemSpider 2D Image | PF-04859989 | C9H10N2O2

PF-04859989

  • Molecular FormulaC9H10N2O2
  • Average mass178.188 Da
  • Monoisotopic mass178.074234 Da
  • ChemSpider ID25069594

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Amino-1-hydroxy-3,4-dihydro-2(1H)-chinolinon [German] [ACD/IUPAC Name]
(3S)-3-Amino-1-hydroxy-3,4-dihydro-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
(3S)-3-Amino-1-hydroxy-3,4-dihydro-2(1H)-quinolinone [ACD/IUPAC Name]
(S)-3-Amino-1-hydroxy-3,4-dihydroquinolin-2(1H)-one
2(1H)-Quinolinone, 3-amino-3,4-dihydro-1-hydroxy-, (3S)- [ACD/Index Name]
34783-48-7 [RN]
PF-04859989
(3S)-3-amino-1-hydroxy-1,2,3,4-tetrahydroquinolin-2-one
(3S)-3-amino-1-hydroxy-3,4-dihydroquinolin-2-one
34783-48-7 (free base)
More...

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

Density: 1.4±0.1 g/cm3
Boiling Point: 361.6±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.1±3.0 kJ/mol
Flash Point: 172.5±30.7 °C
Index of Refraction: 1.658
Molar Refractivity: 47.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.38
ACD/LogD (pH 5.5): -1.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.44
ACD/LogD (pH 7.4): -0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.37
Polar Surface Area: 67 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 68.1±3.0 dyne/cm
Molar Volume: 128.4±3.0 cm3

Click to predict properties on the Chemicalize site


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