ChemSpider 2D Image | 2-[(2S)-2-Hydroxy-3-{[1-(1H-indol-3-yl)-2-methyl-2-propanyl]amino}propoxy]benzonitrile | C22H25N3O2

2-[(2S)-2-Hydroxy-3-{[1-(1H-indol-3-yl)-2-methyl-2-propanyl]amino}propoxy]benzonitrile

  • Molecular FormulaC22H25N3O2
  • Average mass363.453 Da
  • Monoisotopic mass363.194672 Da
  • ChemSpider ID32821971
  • defined stereocentres - 1 of 1 defined stereocentres


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

2-[(2S)-2-Hydroxy-3-{[1-(1H-indol-3-yl)-2-methyl-2-propanyl]amino}propoxy]benzonitril [German] [ACD/IUPAC Name]
2-[(2S)-2-Hydroxy-3-{[1-(1H-indol-3-yl)-2-methyl-2-propanyl]amino}propoxy]benzonitrile [ACD/IUPAC Name]
2-[(2S)-2-Hydroxy-3-{[1-(1H-indol-3-yl)-2-méthyl-2-propanyl]amino}propoxy]benzonitrile [French] [ACD/IUPAC Name]
2-[(2s)-3-[[1-(1h-Indol-3-Yl)-2-Methyl-Propan-2-Yl]amino]-2-Oxidanyl-Propoxy]benzenecarbonitrile
Benzonitrile, 2-[(2S)-2-hydroxy-3-[[2-(1H-indol-3-yl)-1,1-dimethylethyl]amino]propoxy]- [ACD/Index Name]
(S)-2-(3-((1-(1H-indol-3-yl)-2-methylpropan-2-yl)amino)-2-hydroxypropoxy)benzonitrile
71119-11-4 [RN]
91548-61-7 [RN]
Bucindolol [INN] [Wiki]
BUCINDOLOL, (S)-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 605.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 319.9±31.5 °C
Index of Refraction: 1.632
Molar Refractivity: 106.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.47
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 2.14
ACD/KOC (pH 7.4): 16.25
Polar Surface Area: 81 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 59.6±5.0 dyne/cm
Molar Volume: 299.4±5.0 cm3

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