1-Decylpyridinium

HCID 74160

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Basic information

CAS: 46746-05-8
Standard SMILES: CCCCCCCCCC[n+]1ccccc1
InChIKey: MFMBELVKZWEQOM-UHFFFAOYSA-N
Molecular formula: C15H26N+
Average molar mass: 220.37 g/mol
Monoisotopic mass: 220.20652483

Names & identifiers

Preferred name: 1-Decylpyridinium
IUPAC: 1-decylpyridin-1-ium

Names & synonyms

1-decylpyridin-1-ium1-decylpyridiniumCHEMBL5529746746-05-81-Decyl-pyridinium; iodideSCHEMBL578965SCHEMBL2401225CHEMBL1179034DTXSID10275727BDBM50143309AKOS000509494

Database identifiers

CAS: 46746-05-8
PubChem CID: 74160
DTXSID: DTXSID10275727
ChEMBL: CHEMBL1179034、CHEMBL55297
Nikkaji: J415.383I

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 3.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 9
Heavy atoms: 16
Formal charge: 1
Complexity: 138

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