ChemSpider 2D Image | 1-{2-[(1S,2S,4R)-Bicyclo[2.2.1]hept-2-yl]phenoxy}-3-(isopropylamino)-2-propanol | C19H29NO2

1-{2-[(1S,2S,4R)-Bicyclo[2.2.1]hept-2-yl]phenoxy}-3-(isopropylamino)-2-propanol

  • Molecular FormulaC19H29NO2
  • Average mass303.439 Da
  • Monoisotopic mass303.219818 Da
  • ChemSpider ID32698004

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1-{2-[(1S,2S,4R)-Bicyclo[2.2.1]hept-2-yl]phenoxy}-3-(isopropylamino)-2-propanol [German] [ACD/IUPAC Name]
1-{2-[(1S,2S,4R)-Bicyclo[2.2.1]hept-2-yl]phenoxy}-3-(isopropylamino)-2-propanol [ACD/IUPAC Name]
1-{2-[(1S,2S,4R)-Bicyclo[2.2.1]hept-2-yl]phénoxy}-3-(isopropylamino)-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-[2-[(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]phenoxy]-3-[(1-methylethyl)amino]- [ACD/Index Name]
66451-06-7 [RN]
bornaprolol [INN] [Wiki]

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

5055 [DBID]
66STS87GEY [DBID]
UNII:66STS87GEY [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: 460.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 232.0±27.3 °C
Index of Refraction: 1.546
Molar Refractivity: 89.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.57
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 3.85
ACD/KOC (pH 7.4): 23.16
Polar Surface Area: 41 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 283.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement