ChemSpider 2D Image | 4'-{(2R)-2-Hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}spiro[cyclohexane-1,2'-inden]-1'(3'H)-one | C21H31NO3

4'-{(2R)-2-Hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}spiro[cyclohexane-1,2'-inden]-1'(3'H)-one

  • Molecular FormulaC21H31NO3
  • Average mass345.476 Da
  • Monoisotopic mass345.230408 Da
  • ChemSpider ID32809562
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

4'-{(2R)-2-Hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}spiro[cyclohexane-1,2'-inden]-1'(3'H)-on [German] [ACD/IUPAC Name]
4'-{(2R)-2-Hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}spiro[cyclohexane-1,2'-inden]-1'(3'H)-one [ACD/IUPAC Name]
4'-{(2R)-2-Hydroxy-3-[(2-méthyl-2-propanyl)amino]propoxy}spiro[cyclohexane-1,2'-inden]-1'(3'H)-one [French] [ACD/IUPAC Name]
Spiro[cyclohexane-1,2'-[2H]inden]-1'(3'H)-one, 4'-[(2R)-3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]- [ACD/Index Name]
65429-87-0 [RN]
Spirendolol [INN] [Wiki]
UNII-96789094BR

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 521.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 269.4±30.1 °C
Index of Refraction: 1.560
Molar Refractivity: 99.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.17
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): 2.02
ACD/BCF (pH 7.4): 6.40
ACD/KOC (pH 7.4): 33.82
Polar Surface Area: 59 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 47.2±5.0 dyne/cm
Molar Volume: 306.5±5.0 cm3

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