Found 4 results

Search term: MXIOBZPVLNQGIU (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2S)-2-[Bis(3,5-dimethylphenyl)(hydroxy)methyl]pyrrolidinium | C21H28NO

(2S)-2-[Bis(3,5-dimethylphenyl)(hydroxy)methyl]pyrrolidinium

  • Molecular FormulaC21H28NO
  • Average mass310.453 Da
  • Monoisotopic mass310.216553 Da
  • ChemSpider ID77409311

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-[Bis(3,5-dimethylphenyl)(hydroxy)methyl]pyrrolidinium [German] [ACD/IUPAC Name]
(2S)-2-[Bis(3,5-dimethylphenyl)(hydroxy)methyl]pyrrolidinium [ACD/IUPAC Name]
(2S)-2-[Bis(3,5-diméthylphényl)(hydroxy)méthyl]pyrrolidinium [French] [ACD/IUPAC Name]
Pyrrolidinium, 2-[bis(3,5-dimethylphenyl)hydroxymethyl]-, (2S)- [ACD/Index Name]

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

Density:
Boiling Point: 488.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 122.6±16.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 1.74
ACD/KOC (pH 5.5): 6.84
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 4.28
ACD/KOC (pH 7.4): 16.81
Polar Surface Area: 37 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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