ChemSpider 2D Image | 4-Hydroxypenbutolol | C18H29NO3

4-Hydroxypenbutolol

  • Molecular FormulaC18H29NO3
  • Average mass307.428 Da
  • Monoisotopic mass307.214752 Da
  • ChemSpider ID26502923

More details:

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

3-Cyclopentyl-4-{2-hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}phenol [German] [ACD/IUPAC Name]
3-Cyclopentyl-4-{2-hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}phenol [ACD/IUPAC Name]
3-Cyclopentyl-4-{2-hydroxy-3-[(2-méthyl-2-propanyl)amino]propoxy}phénol [French] [ACD/IUPAC Name]
4-Hydroxypenbutolol
Phenol, 3-cyclopentyl-4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]- [ACD/Index Name]
4-[3-(TERT-BUTYLAMINO)-2-HYDROXYPROPOXY]-3-CYCLOPENTYLPHENOL
4-{[(2S)-3-(TERT-BUTYLAMINO)-2-HYDROXYPROPYL]OXY}-3-CYCLOPENTYLPHENOL
81542-82-7 [RN]
86197-03-7 [RN]
Phenol,3-cyclopentyl-4-[(2S)-3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-

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

MSV4Q3G0OA [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: 483.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 246.4±28.7 °C
Index of Refraction: 1.545
Molar Refractivity: 88.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.40
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 1.28
ACD/KOC (pH 7.4): 9.69
Polar Surface Area: 62 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 281.1±3.0 cm3

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