ChemSpider 2D Image | 1-[(2S)-1-(2-Benzylphenoxy)-2-propanyl]piperidinium | C21H28NO

1-[(2S)-1-(2-Benzylphenoxy)-2-propanyl]piperidinium

  • Molecular FormulaC21H28NO
  • Average mass310.453 Da
  • Monoisotopic mass310.216553 Da
  • ChemSpider ID31150561

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(2S)-1-(2-Benzylphenoxy)-2-propanyl]piperidinium [German] [ACD/IUPAC Name]
1-[(2S)-1-(2-Benzylphenoxy)-2-propanyl]piperidinium [ACD/IUPAC Name]
1-[(2S)-1-(2-Benzylphénoxy)-2-propanyl]pipéridinium [French] [ACD/IUPAC Name]
Piperidine, 1-[(1S)-1-methyl-2-[2-(phenylmethyl)phenoxy]ethyl]-, conjugate acid [ACD/Index Name]
(S)-benproperine(1+)
1-[(2S)-1-(2-benzylphenoxy)propan-2-yl]piperidinium
  • Miscellaneous

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

Density:
Boiling Point: 433.0±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.9±3.0 kJ/mol
Flash Point: 126.8±27.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 4.23
ACD/KOC (pH 5.5): 13.32
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 44.29
ACD/KOC (pH 7.4): 139.65
Polar Surface Area: 14 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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