ChemSpider 2D Image | Methyl (2E)-3-{2-[(2S)-2-hydroxy-3-(isopropylamino)propoxy]phenyl}acrylate | C16H23NO4

Methyl (2E)-3-{2-[(2S)-2-hydroxy-3-(isopropylamino)propoxy]phenyl}acrylate

  • Molecular FormulaC16H23NO4
  • Average mass293.358 Da
  • Monoisotopic mass293.162720 Da
  • ChemSpider ID34986946

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2E)-3-{2-[(2S)-2-Hydroxy-3-(isopropylamino)propoxy]phényl}acrylate de méthyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-[2-[(2S)-2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-, methyl ester, (2E)- [ACD/Index Name]
Methyl (2E)-3-{2-[(2S)-2-hydroxy-3-(isopropylamino)propoxy]phenyl}acrylate [ACD/IUPAC Name]
Methyl-(2E)-3-{2-[(2S)-2-hydroxy-3-(isopropylamino)propoxy]phenyl}acrylat [German] [ACD/IUPAC Name]
39099-98-4 [RN]
Cinamolol [INN]
UNII-7531Q8398Y

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

M5RB353V98 [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: 454.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 228.6±27.3 °C
Index of Refraction: 1.545
Molar Refractivity: 83.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): -1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.42
Polar Surface Area: 68 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 264.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement