choline chloride C5H14ClNO structure – Flashcards

Flashcard maker : James Hopper

Molecular Formula C5H14ClNO
Average mass 139.624 Da
Density
Boiling Point
Flash Point
Molar Refractivity
Polarizability
Surface Tension
Molar Volume
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Predicted – Mcule
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      305 °C (Decomposes) Alfa Aesar
      305 °C (Decomposes) Alfa Aesar A15828
      303-305 °C J&K Scientific 185888
      302-305 °C Indofine
      [BIO-108]
      302-303 °C FooDB FDB000711
    • Experimental Solubility:

      500 mg/ml in H2O, 28 mg/ml in DMSO (at 25°C) MedChem Express http://www.medchemexpress.com/Fusidic-acid-sodium-salt.html, HY-B1337
      H2O: 1 M, clear, colorless Indofine
      [BIO-108]
  • Predicted Physico-chemical Properties
    • Predicted Melting Point:

      303-305 °C J&K Scientific 185888
  • Miscellaneous
    • Appearance:

      deliquescent crystals Oxford University Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. Incompatible with strong oxidizing agents, moisture.Store under a dry atmosphere. Oxford University Chemical Safety Data (No longer updated) More details
    • Toxicity:

      ORL-RAT LD50 3400 mg kg-1, IPR-MUS LD50 320 mg kg-1, ORL-MUS LD50 3900 mg kg-1, IVN-MUS LD50 53 mg kg-1 Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      26-37 Alfa Aesar A15828
      26-37-60 Alfa Aesar A15828
      36/37/38 Alfa Aesar A15828
      CAUTION: May irritate eyes, skin, and respiratory tract Alfa Aesar A15828
      H315-H319-H335 Alfa Aesar A15828
      Minimize contact. Oxford University Chemical Safety Data (No longer updated) More details
      P261-P280-P305+P351+P338-P304+P340-P405-P501a Alfa Aesar A15828
      Warning Alfa Aesar A15828
      WARNING: Irritates lungs, eyes, skin Alfa Aesar A15828
      Xi Abblis Chemicals AB1002139
    • Target Organs:

      AChR agonist TargetMol T1039
    • Chemical Class:

      alkaloid Microsource
      [01503428]
    • Compound Source:

      widespread in the plant and animal kingdoms Microsource
      [01503428]
    • Bio Activity:

      Choline chloride is an organic compound and a quaternary ammonium salt, an acyl group acceptor and choline acetyltransferase substrate, also is an important additive in feed especially for chickens wh
      ere it accelerates growth. MedChem Express http://www.medchemexpress.com/Fusidic-acid-sodium-salt.html
      Choline chloride is an organic compound and a quaternary ammonium salt, an acyl group acceptor and choline acetyltransferase substrate, also is an important additive in feed especially for chickens where it accelerates growth. MedChem Express HY-B1337
      Muscarinic AChR TargetMol T1039
      Neuroscience TargetMol T1039
      Others MedChem Express HY-B1337

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

No predicted properties have been calculated for this compound.

Density:
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Index of Refraction:
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#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site

  • 1-Click Docking
  • 1-Click Scaffold Hop

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