ChemSpider 2D Image | 6-{(1S)-1-Hydroxy-2-[(2-methyl-4-phenyl-2-butanyl)amino]ethyl}-3,4-dihydro-2(1H)-quinolinone | C22H28N2O2

6-{(1S)-1-Hydroxy-2-[(2-methyl-4-phenyl-2-butanyl)amino]ethyl}-3,4-dihydro-2(1H)-quinolinone

  • Molecular FormulaC22H28N2O2
  • Average mass352.470 Da
  • Monoisotopic mass352.215088 Da
  • ChemSpider ID34990074

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

154802-43-4 [RN]
2(1H)-Quinolinone, 6-[(1S)-2-[(1,1-dimethyl-3-phenylpropyl)amino]-1-hydroxyethyl]-3,4-dihydro- [ACD/Index Name]
6-{(1S)-1-Hydroxy-2-[(2-methyl-4-phenyl-2-butanyl)amino]ethyl}-3,4-dihydro-2(1H)-chinolinon [German] [ACD/IUPAC Name]
6-{(1S)-1-Hydroxy-2-[(2-méthyl-4-phényl-2-butanyl)amino]éthyl}-3,4-dihydro-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
6-{(1S)-1-Hydroxy-2-[(2-methyl-4-phenyl-2-butanyl)amino]ethyl}-3,4-dihydro-2(1H)-quinolinone [ACD/IUPAC Name]
104051-20-9 [RN]
Brefonalol [INN]
BREFONALOL, (S)-
UNII-DVO6SSG9S3

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

0Z81U1B19O [DBID]
UNII:0Z81U1B19O [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 578.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 303.9±30.1 °C
Index of Refraction: 1.583
Molar Refractivity: 104.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.60
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 2.42
ACD/KOC (pH 7.4): 17.80
Polar Surface Area: 61 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 312.0±3.0 cm3

Click to predict properties on the Chemicalize site


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