ChemSpider 2D Image | (2R)-1-(2-Cyclohexylphenoxy)-3-(isopropylamino)-2-propanol | C18H29NO2

(2R)-1-(2-Cyclohexylphenoxy)-3-(isopropylamino)-2-propanol

  • Molecular FormulaC18H29NO2
  • Average mass291.428 Da
  • Monoisotopic mass291.219818 Da
  • ChemSpider ID32809539

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-1-(2-Cyclohexylphenoxy)-3-(isopropylamino)-2-propanol [German] [ACD/IUPAC Name]
(2R)-1-(2-Cyclohexylphenoxy)-3-(isopropylamino)-2-propanol [ACD/IUPAC Name]
(2R)-1-(2-Cyclohexylphénoxy)-3-(isopropylamino)-2-propanol [French] [ACD/IUPAC Name]
101312-73-6 [RN]
2-Propanol, 1-(2-cyclohexylphenoxy)-3-[(1-methylethyl)amino]-, (2R)- [ACD/Index Name]
55837-19-9 [RN]
Exaprolol [INN] [USAN]
UNII-Q4XX54I93R

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

5AQ3UJP2CO [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 445.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.1±3.0 kJ/mol
Flash Point: 223.1±27.3 °C
Index of Refraction: 1.524
Molar Refractivity: 87.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.58
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 6.10
ACD/KOC (pH 7.4): 32.13
Polar Surface Area: 41 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 284.2±3.0 cm3

Click to predict properties on the Chemicalize site


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