Tridihexethyl

Base Information

• Chemical Name: Tridihexethyl
• CAS No.: 60-49-1
• Molecular Formula: C21H36 N O
• Molecular Weight: 0
• UNII: 7HE50A367X
• DSSTox Substance ID: DTXSID0048553
• Nikkaji Number: J4.804F
• Wikipedia: Tridihexethyl
• Wikidata: Q7841414
• NCI Thesaurus Code: C78079
• Pharos Ligand ID: Z42TS7NSVL6X
• Metabolomics Workbench ID: 42849
• ChEMBL ID: CHEMBL1201354
• Mol file: 60-49-1.mol

Synonyms:(3-cyclohexyl-3-hydroxy-3-phenylpropyl)triethylammonium iodide;chloride of tridihexethyl;Pathilon;tridihexethyl;tridihexethyl decylsulfate;tridihexethyl iodide;tridihexylethyl chloride

Chemical Property of Tridihexethyl

Chemical Property:

• PSA: 20.23000
• LogP: 4.72110
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 318.279689772
• Heavy Atom Count: 23
• Complexity: 319

Purity/Quality:

98%min ^*data from raw suppliers

TRIDIHEXETHYL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC[N+](CC)(CC)CCC(C1CCCCC1)(C2=CC=CC=C2)O