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Chem Tetrabutylammonium Bromide | Cheminformatics

Tetrabutylammonium bromide


  • SKU Code: CH137089
Chemical Name - Tetrabutylammonium bromide
Mol Weight - 242.469
Smiles - CCCC[N+](CCCC)(CCCC)CCCC.[Br-]
Property Name Property Value
Mol NameTetrabutylammonium bromide
Molweight242.469
Monoisotopic Mass242.284774
Clogp2.187
Clogs-2.902
H Acceptors1
Total Surface Area233.54
Relative Psa-0.032628
Druglikeness-4.9863
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.52941
Molecular Flexibility0.67542
Molecular Complexity0.35499
Fragments2
Non H Atoms17
Non Ch Atoms1
Electronegative Atoms1
Rotatable Bonds12
Sp3 Atoms17
Symmetric Atoms12
Amines1
Alkyl Amines1
SmilesCCCC[N+](CCCC)(CCCC)CCCC.[Br-]
InChIKeyInChI=1S/C16H36N.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
InChIJRMUNVKIHCOMHV-UHFFFAOYSA-M

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1 - Tetrabutylammonium bromide
2 - Tetrabutylammonium bromide
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