ChemSpider 2D Image | 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile | C16H21N3O2

4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile

  • Molecular FormulaC16H21N3O2
  • Average mass287.357 Da
  • Monoisotopic mass287.163391 Da
  • ChemSpider ID25059093
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

3H-Indole-2-carbonitrile, 4-[(2S)-3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]- [ACD/Index Name]
4-{(2S)-2-Hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}-3H-indol-2-carbonitril [German] [ACD/IUPAC Name]
4-{(2S)-2-Hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}-3H-indole-2-carbonitrile [ACD/IUPAC Name]
4-{(2S)-2-Hydroxy-3-[(2-méthyl-2-propanyl)amino]propoxy}-3H-indole-2-carbonitrile [French] [ACD/IUPAC Name]
4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile
4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3H-indole-2-carbonitrile

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

Density: 1.2±0.1 g/cm3
Boiling Point: 474.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 240.6±31.5 °C
Index of Refraction: 1.576
Molar Refractivity: 81.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.57
ACD/LogD (pH 5.5): -1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.53
Polar Surface Area: 78 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 42.1±7.0 dyne/cm
Molar Volume: 245.9±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement