4,4',4''-[Nitrilotri(4,1-phenylene)]tris(2-methylbut-3-yn-2-ol)

Base Information

• Chemical Name: 4,4',4''-[Nitrilotri(4,1-phenylene)]tris(2-methylbut-3-yn-2-ol)
• CAS No.: 91511-86-3
• Molecular Formula: C33H33NO3
• DSSTox Substance ID: DTXSID80530779
• Wikidata: Q82402129

Synonyms:91511-86-3;DTXSID80530779;4,4',4''-[Nitrilotri(4,1-phenylene)]tris(2-methylbut-3-yn-2-ol)

Chemical Property of 4,4',4''-[Nitrilotri(4,1-phenylene)]tris(2-methylbut-3-yn-2-ol)

Chemical Property:

• XLogP3: 5.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 491.24604391
• Heavy Atom Count: 37
• Complexity: 832

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C#CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C#CC(C)(C)O)C3=CC=C(C=C3)C#CC(C)(C)O)O

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