1-Hexadecyl-3-methylimidazolium

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Basic information

CAS: 81995-03-1
Standard SMILES: CCCCCCCCCCCCCCCCn1cc[n+](C)c1
InChIKey: DCLKMMFVIGOXQN-UHFFFAOYSA-N
Molecular formula: C20H39N2+
Average molar mass: 307.5 g/mol
Monoisotopic mass: 307.31132425

Names & identifiers

Preferred name: 1-Hexadecyl-3-methylimidazolium
IUPAC: 1-hexadecyl-3-methylimidazol-3-ium

Names & synonyms

3-hexadecyl-1-methyl-1H-imidazol-3-ium81995-03-1PLE7H7N7YB1-hexadecyl-3-methylimidazoliumDTXSID6048092RefChem:907606DTXCID70280631-hexadecyl-3-methylimidazol-3-iumimidazolium salt1H-Imidazolium, 3-hexadecyl-1-methyl-MLS000720114SMR000304643

Show more names

1-hexadecyl-3-methyl-imidazol-3-ium;bromideSCHEMBL294131SCHEMBL294132CHEMBL1198106BDBM48845cid_28469281-hexadecyl-3-methyl-imidazol-1-ium1-hexadecyl-3-methyl-imidazol-3-ium

Database identifiers

CAS: 81995-03-1
PubChem CID: 2734232
DTXSID: DTXSID6048092
ChEMBL: CHEMBL1198106
UNII: PLE7H7N7YB
Nikkaji: J1.054.954J

Properties

Computed structural properties

XLogP: 7.8
Topological polar surface area: 8.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 15
Heavy atoms: 22
Formal charge: 1
Complexity: 230

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Compound notes

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