3-Methyl-1,4'-bipiperidin-1-ium

Base Information

• Chemical Name: 3-Methyl-1,4'-bipiperidin-1-ium
• CAS No.: 436099-89-7
• Molecular Formula: C11H22N2
• Molecular Weight: 182.31
• DSSTox Substance ID: DTXSID00963080
• Wikidata: Q82944888
• Mol file: 436099-89-7.mol

Synonyms:DTXSID00963080;3-Methyl-1,4'-bipiperidin-1-ium

Chemical Property of 3-Methyl-1,4'-bipiperidin-1-ium

Chemical Property:

• Boiling Point: 252.4 °C at 760 mmHg
• Flash Point: 89.9 °C
• PSA: 15.27000
• Density: 0.941 g/cm³
• LogP: 1.73700
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 184.193948774
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

97% ^*data from raw suppliers

3-Methyl-[1,4']bipiperidinylhydrochloride ^*data from reagent suppliers

Safty Information:

• Statements: 41
• Safety Statements: 26-39

MSDS Files:

Useful:

• Canonical SMILES: CC1CCC[NH+](C1)C2CC[NH2+]CC2
• Isomeric SMILES: C[C@H]1CCC[NH+](C1)C2CC[NH2+]CC2

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