ChemSpider 2D Image | 1-(2-{4-[(2R)-2-Hydroxy-3-(isopropylamino)propoxy]phenyl}ethyl)-3-isopropylurea | C18H31N3O3

1-(2-{4-[(2R)-2-Hydroxy-3-(isopropylamino)propoxy]phenyl}ethyl)-3-isopropylurea

  • Molecular FormulaC18H31N3O3
  • Average mass337.457 Da
  • Monoisotopic mass337.236542 Da
  • ChemSpider ID32809579

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-(2-{4-[(2R)-2-Hydroxy-3-(isopropylamino)propoxy]phenyl}ethyl)-3-isopropylharnstoff [German] [ACD/IUPAC Name]
1-(2-{4-[(2R)-2-Hydroxy-3-(isopropylamino)propoxy]phenyl}ethyl)-3-isopropylurea [ACD/IUPAC Name]
1-(2-{4-[(2R)-2-Hydroxy-3-(isopropylamino)propoxy]phényl}éthyl)-3-isopropylurée [French] [ACD/IUPAC Name]
Urea, N-[2-[4-[(2R)-2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]ethyl]-N'-(1-methylethyl)- [ACD/Index Name]
75949-61-0 [RN]
Pafenolol [INN] [Wiki]
UNII-5AEP5YJ9MZ

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

Density: 1.1±0.1 g/cm3
Boiling Point: 551.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 287.2±30.1 °C
Index of Refraction: 1.520
Molar Refractivity: 96.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.70
ACD/LogD (pH 5.5): -1.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.34
Polar Surface Area: 83 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 317.0±3.0 cm3

Click to predict properties on the Chemicalize site


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