Ammonium, (2-(3-azabicyclo(3.3.1)non-3-yl)ethyl)trimethyl-, iodide

HCID 46804

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Basic information

CAS: 64048-60-8
Standard SMILES: C[N+](C)(C)CCN1CC2CCCC(C2)C1.[I-]
InChIKey: QCBXZYBFOCRZLJ-UHFFFAOYSA-M
Molecular formula: C13H27IN2
Average molar mass: 338.27 g/mol
Monoisotopic mass: 338.1219

Names & identifiers

Preferred name: Ammonium, (2-(3-azabicyclo(3.3.1)non-3-yl)ethyl)trimethyl-, iodide
IUPAC: 2-(3-azabicyclo[3.3.1]nonan-3-yl)ethyl-trimethylazanium iodide

Names & synonyms

3-Azabicyclo(3.3.1)nonane, 3-(2-(trimethylammonio)ethyl)-, iodide64048-60-8AMMONIUM, (2-(3-AZABICYCLO(3.3.1)NON-3-YL)ETHYL)TRIMETHYL-, IODIDERefChem:318744DTXSID109822872-(3-Azabicyclo[3.3.1]nonan-3-yl)-N,N,N-trimethylethan-1-aminium iodide

Database identifiers

CAS: 64048-60-8
PubChem CID: 46804
DTXSID: DTXSID10982287

Properties

Computed structural properties

Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 195

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