ChemSpider 2D Image | N-Methyl-N-[(2R)-1-phenyl-2-propanyl]-2-propyn-1-aminium | C13H18N

N-Methyl-N-[(2R)-1-phenyl-2-propanyl]-2-propyn-1-aminium

  • Molecular FormulaC13H18N
  • Average mass188.288 Da
  • Monoisotopic mass188.143372 Da
  • ChemSpider ID21865734

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzeneethanamine, α-methyl-N-[(1S)-methyl]-N-[(1S)-2-propyn-1-yl]-, conjugate acid, (αR)- [ACD/Index Name]
N-Methyl-N-[(2R)-1-phenyl-2-propanyl]-2-propin-1-aminium [German] [ACD/IUPAC Name]
N-Methyl-N-[(2R)-1-phenyl-2-propanyl]-2-propyn-1-aminium [ACD/IUPAC Name]
N-Méthyl-N-[(2R)-1-phényl-2-propanyl]-2-propyn-1-aminium [French] [ACD/IUPAC Name]
(-)-selegiline(1+)
N-methyl-N-[(1R)-1-methyl-2-phenylethyl]prop-2-yn-1-aminium

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

Density:
Boiling Point: 272.5±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.1±3.0 kJ/mol
Flash Point: 108.4±19.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.79
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 38.76
ACD/KOC (pH 7.4): 374.00
Polar Surface Area: 4 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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