ChemSpider 2D Image | 1-{5-Amino-2-[(2S)-2-hydroxy-3-(isopropylamino)propoxy]phenyl}ethanone | C14H22N2O3

1-{5-Amino-2-[(2S)-2-hydroxy-3-(isopropylamino)propoxy]phenyl}ethanone

  • Molecular FormulaC14H22N2O3
  • Average mass266.336 Da
  • Monoisotopic mass266.163055 Da
  • ChemSpider ID34995999

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-{5-Amino-2-[(2S)-2-hydroxy-3-(isopropylamino)propoxy]phenyl}ethanon [German] [ACD/IUPAC Name]
1-{5-Amino-2-[(2S)-2-hydroxy-3-(isopropylamino)propoxy]phenyl}ethanone [ACD/IUPAC Name]
1-{5-Amino-2-[(2S)-2-hydroxy-3-(isopropylamino)propoxy]phényl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[5-amino-2-[(2S)-2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]- [ACD/Index Name]
57898-80-3 [RN]
DEACYL ACEBUTOLOL
UNII-2JZ6BC3K11

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

Density: 1.1±0.1 g/cm3
Boiling Point: 468.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 237.1±28.7 °C
Index of Refraction: 1.550
Molar Refractivity: 75.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.30
ACD/LogD (pH 5.5): -2.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 85 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 236.9±3.0 cm3

Click to predict properties on the Chemicalize site


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