Found 2 results

Search term: JQNSRSIGKZYQAA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2S)-2-[(2-Methyl-2-propanyl)amino]-1-phenyl-1-propanone | C13H19NO

(2S)-2-[(2-Methyl-2-propanyl)amino]-1-phenyl-1-propanone

  • Molecular FormulaC13H19NO
  • Average mass205.296 Da
  • Monoisotopic mass205.146667 Da
  • ChemSpider ID57642831

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-[(2-Methyl-2-propanyl)amino]-1-phenyl-1-propanon [German] [ACD/IUPAC Name]
(2S)-2-[(2-Methyl-2-propanyl)amino]-1-phenyl-1-propanone [ACD/IUPAC Name]
(2S)-2-[(2-Méthyl-2-propanyl)amino]-1-phényl-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 2-[(1,1-dimethylethyl)amino]-1-phenyl-, (2S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 294.6±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.4±3.0 kJ/mol
Flash Point: 102.6±22.8 °C
Index of Refraction: 1.504
Molar Refractivity: 63.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 1.15
ACD/KOC (pH 5.5): 13.22
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 32.10
ACD/KOC (pH 7.4): 368.09
Polar Surface Area: 29 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 33.5±3.0 dyne/cm
Molar Volume: 212.7±3.0 cm3

Click to predict properties on the Chemicalize site


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